(6aR,7R,10aS)-4-(2-fluorophenyl)-9-isocyano-7,10a-dimethyl-2-(3-methyl-4-pyridinyl)-5,6,6a,7-tetrahydrobenzo[h]quinazolin-8-one;(6aR,7R,10aS)-4-(2-fluorophenyl)-9-isocyano-2-isoquinolin-1-yl-7,10a-dimethyl-5,6,6a,7-tetrahydrobenzo[h]quinazolin-8-one;(1R,10R,11R,13S,15S)-6-(2-fluorophenyl)-13-isocyano-1,11-dimethyl-4-quinolin-4-yl-14-oxa-3,5-diazatetracyclo[8.5.0.02,7.013,15]pentadeca-2,4,6-trien-12-one;(1R,10R,11R,13S,15S)-6-(2-fluorophenyl)-13-isocyano-4-isoquinolin-4-yl-1,11-dimethyl-14-oxa-3,5-diazatetracyclo[8.5.0.02,7.013,15]pentadeca-2,4,6-trien-12-one;(1R,10S,13S,15S)-6-(2-fluorophenyl)-13-isocyano-1,11,11-trimethyl-4-quinolin-4-yl-14-oxa-3,5-diazatetracyclo[8.5.0.02,7.013,15]pentadeca-2,4,6-trien-12-one

C148H117F5N20O8 — CID 165091879

About (6aR,7R,10aS)-4-(2-fluorophenyl)-9-isocyano-7,10a-dimethyl-2-(3-methyl-4-pyridinyl)-5,6,6a,7-tetrahydrobenzo[h]quinazolin-8-one;(6aR,7R,10aS)-4-(2-fluorophenyl)-9-isocyano-2-isoquinolin-1-yl-7,10a-dimethyl-5,6,6a,7-tetrahydrobenzo[h]quinazolin-8-one;(1R,10R,11R,13S,15S)-6-(2-fluorophenyl)-13-isocyano-1,11-dimethyl-4-quinolin-4-yl-14-oxa-3,5-diazatetracyclo[8.5.0.02,7.013,15]pentadeca-2,4,6-trien-12-one;(1R,10R,11R,13S,15S)-6-(2-fluorophenyl)-13-isocyano-4-isoquinolin-4-yl-1,11-dimethyl-14-oxa-3,5-diazatetracyclo[8.5.0.02,7.013,15]pentadeca-2,4,6-trien-12-one;(1R,10S,13S,15S)-6-(2-fluorophenyl)-13-isocyano-1,11,11-trimethyl-4-quinolin-4-yl-14-oxa-3,5-diazatetracyclo[8.5.0.02,7.013,15]pentadeca-2,4,6-trien-12-one

(6aR,7R,10aS)-4-(2-fluorophenyl)-9-isocyano-7,10a-dimethyl-2-(3-methyl-4-pyridinyl)-5,6,6a,7-tetrahydrobenzo[h]quinazolin-8-one;(6aR,7R,10aS)-4-(2-fluorophenyl)-9-isocyano-2-isoquinolin-1-yl-7,10a-dimethyl-5,6,6a,7-tetrahydrobenzo[h]quinazolin-8-one;(1R,10R,11R,13S,15S)-6-(2-fluorophenyl)-13-isocyano-1,11-dimethyl-4-quinolin-4-yl-14-oxa-3,5-diazatetracyclo[8.5.0.02,7.013,15]pentadeca-2,4,6-trien-12-one;(1R,10R,11R,13S,15S)-6-(2-fluorophenyl)-13-isocyano-4-isoquinolin-4-yl-1,11-dimethyl-14-oxa-3,5-diazatetracyclo[8.5.0.02,7.013,15]pentadeca-2,4,6-trien-12-one;(1R,10S,13S,15S)-6-(2-fluorophenyl)-13-isocyano-1,11,11-trimethyl-4-quinolin-4-yl-14-oxa-3,5-diazatetracyclo[8.5.0.02,7.013,15]pentadeca-2,4,6-trien-12-one (PubChem CID 165091879) has the molecular formula C148H117F5N20O8 and a molecular weight of 2398.69 g/mol. Its IUPAC name is (6aR,7R,10aS)-4-(2-fluorophenyl)-9-isocyano-7,10a-dimethyl-2-(3-methyl-4-pyridinyl)-5,6,6a,7-tetrahydrobenzo[h]quinazolin-8-one;(6aR,7R,10aS)-4-(2-fluorophenyl)-9-isocyano-2-isoquinolin-1-yl-7,10a-dimethyl-5,6,6a,7-tetrahydrobenzo[h]quinazolin-8-one;(1R,10R,11R,13S,15S)-6-(2-fluorophenyl)-13-isocyano-1,11-dimethyl-4-quinolin-4-yl-14-oxa-3,5-diazatetracyclo[8.5.0.02,7.013,15]pentadeca-2,4,6-trien-12-one;(1R,10R,11R,13S,15S)-6-(2-fluorophenyl)-13-isocyano-4-isoquinolin-4-yl-1,11-dimethyl-14-oxa-3,5-diazatetracyclo[8.5.0.02,7.013,15]pentadeca-2,4,6-trien-12-one;(1R,10S,13S,15S)-6-(2-fluorophenyl)-13-isocyano-1,11,11-trimethyl-4-quinolin-4-yl-14-oxa-3,5-diazatetracyclo[8.5.0.02,7.013,15]pentadeca-2,4,6-trien-12-one.

Molecular Properties

• Compound Name: (6aR,7R,10aS)-4-(2-fluorophenyl)-9-isocyano-7,10a-dimethyl-2-(3-methyl-4-pyridinyl)-5,6,6a,7-tetrahydrobenzo[h]quinazolin-8-one;(6aR,7R,10aS)-4-(2-fluorophenyl)-9-isocyano-2-isoquinolin-1-yl-7,10a-dimethyl-5,6,6a,7-tetrahydrobenzo[h]quinazolin-8-one;(1R,10R,11R,13S,15S)-6-(2-fluorophenyl)-13-isocyano-1,11-dimethyl-4-quinolin-4-yl-14-oxa-3,5-diazatetracyclo[8.5.0.02,7.013,15]pentadeca-2,4,6-trien-12-one;(1R,10R,11R,13S,15S)-6-(2-fluorophenyl)-13-isocyano-4-isoquinolin-4-yl-1,11-dimethyl-14-oxa-3,5-diazatetracyclo[8.5.0.02,7.013,15]pentadeca-2,4,6-trien-12-one;(1R,10S,13S,15S)-6-(2-fluorophenyl)-13-isocyano-1,11,11-trimethyl-4-quinolin-4-yl-14-oxa-3,5-diazatetracyclo[8.5.0.02,7.013,15]pentadeca-2,4,6-trien-12-one
• PubChem CID: 165091879
• Molecular Formula: C148H117F5N20O8
• Molecular Weight: 2398.69 g/mol
• Exact Mass: 2396.93
• IUPAC Name: (6aR,7R,10aS)-4-(2-fluorophenyl)-9-isocyano-7,10a-dimethyl-2-(3-methyl-4-pyridinyl)-5,6,6a,7-tetrahydrobenzo[h]quinazolin-8-one;(6aR,7R,10aS)-4-(2-fluorophenyl)-9-isocyano-2-isoquinolin-1-yl-7,10a-dimethyl-5,6,6a,7-tetrahydrobenzo[h]quinazolin-8-one;(1R,10R,11R,13S,15S)-6-(2-fluorophenyl)-13-isocyano-1,11-dimethyl-4-quinolin-4-yl-14-oxa-3,5-diazatetracyclo[8.5.0.02,7.013,15]pentadeca-2,4,6-trien-12-one;(1R,10R,11R,13S,15S)-6-(2-fluorophenyl)-13-isocyano-4-isoquinolin-4-yl-1,11-dimethyl-14-oxa-3,5-diazatetracyclo[8.5.0.02,7.013,15]pentadeca-2,4,6-trien-12-one;(1R,10S,13S,15S)-6-(2-fluorophenyl)-13-isocyano-1,11,11-trimethyl-4-quinolin-4-yl-14-oxa-3,5-diazatetracyclo[8.5.0.02,7.013,15]pentadeca-2,4,6-trien-12-one
• SMILES: [C-]#[N+]C1=C[C@@]2(C)c3nc(-c4ccncc4C)nc(-c4ccccc4F)c3CC[C@@H]2[C@@H](C)C1=O.[C-]#[N+]C1=C[C@@]2(C)c3nc(-c4nccc5ccccc45)nc(-c4ccccc4F)c3CC[C@@H]2[C@@H](C)C1=O.[C-]#[N+][C@]12O[C@H]1[C@@]1(C)c3nc(-c4ccnc5ccccc45)nc(-c4ccccc4F)c3CC[C@@H]1C(C)(C)C2=O.[C-]#[N+][C@]12O[C@H]1[C@@]1(C)c3nc(-c4ccnc5ccccc45)nc(-c4ccccc4F)c3CC[C@@H]1[C@@H](C)C2=O.[C-]#[N+][C@]12O[C@H]1[C@@]1(C)c3nc(-c4cncc5ccccc45)nc(-c4ccccc4F)c3CC[C@@H]1[C@@H](C)C2=O
• InChI: InChI=1S/C31H25FN4O2.2C30H23FN4O2.C30H23FN4O.C27H23FN4O/c1-29(2)23-14-13-20-24(19-10-5-7-11-21(19)32)35-26(18-15-16-34-22-12-8-6-9-17(18)22)36-25(20)30(23,3)28-31(33-4,38-28)27(29)37;1-16-21-13-12-20-24(19-9-4-6-10-22(19)31)34-27(18-14-15-33-23-11-7-5-8-17(18)23)35-25(20)29(21,2)28-30(32-3,37-28)26(16)36;1-16-22-13-12-20-24(19-10-6-7-11-23(19)31)34-27(21-15-33-14-17-8-4-5-9-18(17)21)35-25(20)29(22,2)28-30(32-3,37-28)26(16)36;1-17-22-13-12-21-25(20-10-6-7-11-23(20)31)34-29(26-19-9-5-4-8-18(19)14-15-33-26)35-28(21)30(22,2)16-24(32-3)27(17)36;1-15-14-30-12-11-17(15)26-31-23(18-7-5-6-8-21(18)28)19-9-10-20-16(2)24(33)22(29-4)13-27(20,3)25(19)32-26/h5-12,15-16,23,28H,13-14H2,1-3H3;4-11,14-16,21,28H,12-13H2,1-2H3;4-11,14-16,22,28H,12-13H2,1-2H3;4-11,14-17,22H,12-13H2,1-2H3;5-8,11-14,16,20H,9-10H2,1-3H3/t23-,28+,30-,31-;16-,21-,28+,29-,30-;16-,22-,28+,29-,30-;17-,22-,30-;16-,20-,27-/m11111/s1
• InChIKey: WVQKIJFIDVEPMJ-XOEPQDLISA-N
• XLogP: 28.88
• TPSA: 338.09 Ų
• H-Bond Acceptors: 23
• Rotatable Bonds: 10
• Heavy Atoms: 181
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2398.69
LogP ≤ 5	28.88
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	23

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (6aR,7R,10aS)-4-(2-fluorophenyl)-9-isocyano-7,10a-dimethyl-2-(3-methyl-4-pyridinyl)-5,6,6a,7-tetrahydrobenzo[h]quinazolin-8-one;(6aR,7R,10aS)-4-(2-fluorophenyl)-9-isocyano-2-isoquinolin-1-yl-7,10a-dimethyl-5,6,6a,7-tetrahydrobenzo[h]quinazolin-8-one;(1R,10R,11R,13S,15S)-6-(2-fluorophenyl)-13-isocyano-1,11-dimethyl-4-quinolin-4-yl-14-oxa-3,5-diazatetracyclo[8.5.0.02,7.013,15]pentadeca-2,4,6-trien-12-one;(1R,10R,11R,13S,15S)-6-(2-fluorophenyl)-13-isocyano-4-isoquinolin-4-yl-1,11-dimethyl-14-oxa-3,5-diazatetracyclo[8.5.0.02,7.013,15]pentadeca-2,4,6-trien-12-one;(1R,10S,13S,15S)-6-(2-fluorophenyl)-13-isocyano-1,11,11-trimethyl-4-quinolin-4-yl-14-oxa-3,5-diazatetracyclo[8.5.0.02,7.013,15]pentadeca-2,4,6-trien-12-one?

The IUPAC name of (6aR,7R,10aS)-4-(2-fluorophenyl)-9-isocyano-7,10a-dimethyl-2-(3-methyl-4-pyridinyl)-5,6,6a,7-tetrahydrobenzo[h]quinazolin-8-one;(6aR,7R,10aS)-4-(2-fluorophenyl)-9-isocyano-2-isoquinolin-1-yl-7,10a-dimethyl-5,6,6a,7-tetrahydrobenzo[h]quinazolin-8-one;(1R,10R,11R,13S,15S)-6-(2-fluorophenyl)-13-isocyano-1,11-dimethyl-4-quinolin-4-yl-14-oxa-3,5-diazatetracyclo[8.5.0.02,7.013,15]pentadeca-2,4,6-trien-12-one;(1R,10R,11R,13S,15S)-6-(2-fluorophenyl)-13-isocyano-4-isoquinolin-4-yl-1,11-dimethyl-14-oxa-3,5-diazatetracyclo[8.5.0.02,7.013,15]pentadeca-2,4,6-trien-12-one;(1R,10S,13S,15S)-6-(2-fluorophenyl)-13-isocyano-1,11,11-trimethyl-4-quinolin-4-yl-14-oxa-3,5-diazatetracyclo[8.5.0.02,7.013,15]pentadeca-2,4,6-trien-12-one (CID 165091879) is (6aR,7R,10aS)-4-(2-fluorophenyl)-9-isocyano-7,10a-dimethyl-2-(3-methyl-4-pyridinyl)-5,6,6a,7-tetrahydrobenzo[h]quinazolin-8-one;(6aR,7R,10aS)-4-(2-fluorophenyl)-9-isocyano-2-isoquinolin-1-yl-7,10a-dimethyl-5,6,6a,7-tetrahydrobenzo[h]quinazolin-8-one;(1R,10R,11R,13S,15S)-6-(2-fluorophenyl)-13-isocyano-1,11-dimethyl-4-quinolin-4-yl-14-oxa-3,5-diazatetracyclo[8.5.0.02,7.013,15]pentadeca-2,4,6-trien-12-one;(1R,10R,11R,13S,15S)-6-(2-fluorophenyl)-13-isocyano-4-isoquinolin-4-yl-1,11-dimethyl-14-oxa-3,5-diazatetracyclo[8.5.0.02,7.013,15]pentadeca-2,4,6-trien-12-one;(1R,10S,13S,15S)-6-(2-fluorophenyl)-13-isocyano-1,11,11-trimethyl-4-quinolin-4-yl-14-oxa-3,5-diazatetracyclo[8.5.0.02,7.013,15]pentadeca-2,4,6-trien-12-one.

What is the SMILES notation for (6aR,7R,10aS)-4-(2-fluorophenyl)-9-isocyano-7,10a-dimethyl-2-(3-methyl-4-pyridinyl)-5,6,6a,7-tetrahydrobenzo[h]quinazolin-8-one;(6aR,7R,10aS)-4-(2-fluorophenyl)-9-isocyano-2-isoquinolin-1-yl-7,10a-dimethyl-5,6,6a,7-tetrahydrobenzo[h]quinazolin-8-one;(1R,10R,11R,13S,15S)-6-(2-fluorophenyl)-13-isocyano-1,11-dimethyl-4-quinolin-4-yl-14-oxa-3,5-diazatetracyclo[8.5.0.02,7.013,15]pentadeca-2,4,6-trien-12-one;(1R,10R,11R,13S,15S)-6-(2-fluorophenyl)-13-isocyano-4-isoquinolin-4-yl-1,11-dimethyl-14-oxa-3,5-diazatetracyclo[8.5.0.02,7.013,15]pentadeca-2,4,6-trien-12-one;(1R,10S,13S,15S)-6-(2-fluorophenyl)-13-isocyano-1,11,11-trimethyl-4-quinolin-4-yl-14-oxa-3,5-diazatetracyclo[8.5.0.02,7.013,15]pentadeca-2,4,6-trien-12-one?

The canonical SMILES for (6aR,7R,10aS)-4-(2-fluorophenyl)-9-isocyano-7,10a-dimethyl-2-(3-methyl-4-pyridinyl)-5,6,6a,7-tetrahydrobenzo[h]quinazolin-8-one;(6aR,7R,10aS)-4-(2-fluorophenyl)-9-isocyano-2-isoquinolin-1-yl-7,10a-dimethyl-5,6,6a,7-tetrahydrobenzo[h]quinazolin-8-one;(1R,10R,11R,13S,15S)-6-(2-fluorophenyl)-13-isocyano-1,11-dimethyl-4-quinolin-4-yl-14-oxa-3,5-diazatetracyclo[8.5.0.02,7.013,15]pentadeca-2,4,6-trien-12-one;(1R,10R,11R,13S,15S)-6-(2-fluorophenyl)-13-isocyano-4-isoquinolin-4-yl-1,11-dimethyl-14-oxa-3,5-diazatetracyclo[8.5.0.02,7.013,15]pentadeca-2,4,6-trien-12-one;(1R,10S,13S,15S)-6-(2-fluorophenyl)-13-isocyano-1,11,11-trimethyl-4-quinolin-4-yl-14-oxa-3,5-diazatetracyclo[8.5.0.02,7.013,15]pentadeca-2,4,6-trien-12-one is [C-]#[N+]C1=C[C@@]2(C)c3nc(-c4ccncc4C)nc(-c4ccccc4F)c3CC[C@@H]2[C@@H](C)C1=O.[C-]#[N+]C1=C[C@@]2(C)c3nc(-c4nccc5ccccc45)nc(-c4ccccc4F)c3CC[C@@H]2[C@@H](C)C1=O.[C-]#[N+][C@]12O[C@H]1[C@@]1(C)c3nc(-c4ccnc5ccccc45)nc(-c4ccccc4F)c3CC[C@@H]1C(C)(C)C2=O.[C-]#[N+][C@]12O[C@H]1[C@@]1(C)c3nc(-c4ccnc5ccccc45)nc(-c4ccccc4F)c3CC[C@@H]1[C@@H](C)C2=O.[C-]#[N+][C@]12O[C@H]1[C@@]1(C)c3nc(-c4cncc5ccccc45)nc(-c4ccccc4F)c3CC[C@@H]1[C@@H](C)C2=O.

What is the InChIKey of (6aR,7R,10aS)-4-(2-fluorophenyl)-9-isocyano-7,10a-dimethyl-2-(3-methyl-4-pyridinyl)-5,6,6a,7-tetrahydrobenzo[h]quinazolin-8-one;(6aR,7R,10aS)-4-(2-fluorophenyl)-9-isocyano-2-isoquinolin-1-yl-7,10a-dimethyl-5,6,6a,7-tetrahydrobenzo[h]quinazolin-8-one;(1R,10R,11R,13S,15S)-6-(2-fluorophenyl)-13-isocyano-1,11-dimethyl-4-quinolin-4-yl-14-oxa-3,5-diazatetracyclo[8.5.0.02,7.013,15]pentadeca-2,4,6-trien-12-one;(1R,10R,11R,13S,15S)-6-(2-fluorophenyl)-13-isocyano-4-isoquinolin-4-yl-1,11-dimethyl-14-oxa-3,5-diazatetracyclo[8.5.0.02,7.013,15]pentadeca-2,4,6-trien-12-one;(1R,10S,13S,15S)-6-(2-fluorophenyl)-13-isocyano-1,11,11-trimethyl-4-quinolin-4-yl-14-oxa-3,5-diazatetracyclo[8.5.0.02,7.013,15]pentadeca-2,4,6-trien-12-one?

The InChIKey is WVQKIJFIDVEPMJ-XOEPQDLISA-N. The full InChI is InChI=1S/C31H25FN4O2.2C30H23FN4O2.C30H23FN4O.C27H23FN4O/c1-29(2)23-14-13-20-24(19-10-5-7-11-21(19)32)35-26(18-15-16-34-22-12-8-6-9-17(18)22)36-25(20)30(23,3)28-31(33-4,38-28)27(29)37;1-16-21-13-12-20-24(19-9-4-6-10-22(19)31)34-27(18-14-15-33-23-11-7-5-8-17(18)23)35-25(20)29(21,2)28-30(32-3,37-28)26(16)36;1-16-22-13-12-20-24(19-10-6-7-11-23(19)31)34-27(21-15-33-14-17-8-4-5-9-18(17)21)35-25(20)29(22,2)28-30(32-3,37-28)26(16)36;1-17-22-13-12-21-25(20-10-6-7-11-23(20)31)34-29(26-19-9-5-4-8-18(19)14-15-33-26)35-28(21)30(22,2)16-24(32-3)27(17)36;1-15-14-30-12-11-17(15)26-31-23(18-7-5-6-8-21(18)28)19-9-10-20-16(2)24(33)22(29-4)13-27(20,3)25(19)32-26/h5-12,15-16,23,28H,13-14H2,1-3H3;4-11,14-16,21,28H,12-13H2,1-2H3;4-11,14-16,22,28H,12-13H2,1-2H3;4-11,14-17,22H,12-13H2,1-2H3;5-8,11-14,16,20H,9-10H2,1-3H3/t23-,28+,30-,31-;16-,21-,28+,29-,30-;16-,22-,28+,29-,30-;17-,22-,30-;16-,20-,27-/m11111/s1.

What are the key properties of (6aR,7R,10aS)-4-(2-fluorophenyl)-9-isocyano-7,10a-dimethyl-2-(3-methyl-4-pyridinyl)-5,6,6a,7-tetrahydrobenzo[h]quinazolin-8-one;(6aR,7R,10aS)-4-(2-fluorophenyl)-9-isocyano-2-isoquinolin-1-yl-7,10a-dimethyl-5,6,6a,7-tetrahydrobenzo[h]quinazolin-8-one;(1R,10R,11R,13S,15S)-6-(2-fluorophenyl)-13-isocyano-1,11-dimethyl-4-quinolin-4-yl-14-oxa-3,5-diazatetracyclo[8.5.0.02,7.013,15]pentadeca-2,4,6-trien-12-one;(1R,10R,11R,13S,15S)-6-(2-fluorophenyl)-13-isocyano-4-isoquinolin-4-yl-1,11-dimethyl-14-oxa-3,5-diazatetracyclo[8.5.0.02,7.013,15]pentadeca-2,4,6-trien-12-one;(1R,10S,13S,15S)-6-(2-fluorophenyl)-13-isocyano-1,11,11-trimethyl-4-quinolin-4-yl-14-oxa-3,5-diazatetracyclo[8.5.0.02,7.013,15]pentadeca-2,4,6-trien-12-one?

(6aR,7R,10aS)-4-(2-fluorophenyl)-9-isocyano-7,10a-dimethyl-2-(3-methyl-4-pyridinyl)-5,6,6a,7-tetrahydrobenzo[h]quinazolin-8-one;(6aR,7R,10aS)-4-(2-fluorophenyl)-9-isocyano-2-isoquinolin-1-yl-7,10a-dimethyl-5,6,6a,7-tetrahydrobenzo[h]quinazolin-8-one;(1R,10R,11R,13S,15S)-6-(2-fluorophenyl)-13-isocyano-1,11-dimethyl-4-quinolin-4-yl-14-oxa-3,5-diazatetracyclo[8.5.0.02,7.013,15]pentadeca-2,4,6-trien-12-one;(1R,10R,11R,13S,15S)-6-(2-fluorophenyl)-13-isocyano-4-isoquinolin-4-yl-1,11-dimethyl-14-oxa-3,5-diazatetracyclo[8.5.0.02,7.013,15]pentadeca-2,4,6-trien-12-one;(1R,10S,13S,15S)-6-(2-fluorophenyl)-13-isocyano-1,11,11-trimethyl-4-quinolin-4-yl-14-oxa-3,5-diazatetracyclo[8.5.0.02,7.013,15]pentadeca-2,4,6-trien-12-one has a molecular weight of 2398.69 g/mol, XLogP of 28.88, 10 rotatable bonds, 0 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for (6aR,7R,10aS)-4-(2-fluorophenyl)-9-isocyano-7,10a-dimethyl-2-(3-methyl-4-pyridinyl)-5,6,6a,7-tetrahydrobenzo[h]quinazolin-8-one;(6aR,7R,10aS)-4-(2-fluorophenyl)-9-isocyano-2-isoquinolin-1-yl-7,10a-dimethyl-5,6,6a,7-tetrahydrobenzo[h]quinazolin-8-one;(1R,10R,11R,13S,15S)-6-(2-fluorophenyl)-13-isocyano-1,11-dimethyl-4-quinolin-4-yl-14-oxa-3,5-diazatetracyclo[8.5.0.02,7.013,15]pentadeca-2,4,6-trien-12-one;(1R,10R,11R,13S,15S)-6-(2-fluorophenyl)-13-isocyano-4-isoquinolin-4-yl-1,11-dimethyl-14-oxa-3,5-diazatetracyclo[8.5.0.02,7.013,15]pentadeca-2,4,6-trien-12-one;(1R,10S,13S,15S)-6-(2-fluorophenyl)-13-isocyano-1,11,11-trimethyl-4-quinolin-4-yl-14-oxa-3,5-diazatetracyclo[8.5.0.02,7.013,15]pentadeca-2,4,6-trien-12-one is sourced from PubChem (CID 165091879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).