About N,N-dimethyl-7-[4-[4,4,4-trifluoro-1-(3-fluoro-2H-indazol-5-yl)-2-phenylbut-1-enyl]phenoxy]heptanamide;N,N-dimethyl-7-[[5-[(Z)-4,4,4-trifluoro-1-(3-fluoro-2H-indazol-5-yl)-2-phenylbut-1-enyl]-2-pyridinyl]oxy]heptanamide;7-[4-[(E)-1-(1H-indazol-5-yl)-2-phenylbut-1-enyl]phenoxy]-N,N-dimethylheptanamide;(E)-N-methyl-7-[[5-[(Z)-4,4,4-trifluoro-1-(3-fluoro-2H-indazol-5-yl)-2-phenylbut-1-enyl]-2-pyridinyl]oxy]hept-2-enamide;(E)-N-methyl-7-[[5-[(E)-4,4,4-trifluoro-1-(3-fluoro-1H-isoindol-5-yl)-1-phenylbut-1-en-2-yl]-2-pyridinyl]oxy]hept-2-enamide;(E)-10-[[5-[(Z)-4,4,4-trifluoro-1-(3-fluoro-2H-indazol-5-yl)-2-phenylbut-1-enyl]-2-pyridinyl]oxy]dec-4-en-3-one
N,N-dimethyl-7-[4-[4,4,4-trifluoro-1-(3-fluoro-2H-indazol-5-yl)-2-phenylbut-1-enyl]phenoxy]heptanamide;N,N-dimethyl-7-[[5-[(Z)-4,4,4-trifluoro-1-(3-fluoro-2H-indazol-5-yl)-2-phenylbut-1-enyl]-2-pyridinyl]oxy]heptanamide;7-[4-[(E)-1-(1H-indazol-5-yl)-2-phenylbut-1-enyl]phenoxy]-N,N-dimethylheptanamide;(E)-N-methyl-7-[[5-[(Z)-4,4,4-trifluoro-1-(3-fluoro-2H-indazol-5-yl)-2-phenylbut-1-enyl]-2-pyridinyl]oxy]hept-2-enamide;(E)-N-methyl-7-[[5-[(E)-4,4,4-trifluoro-1-(3-fluoro-1H-isoindol-5-yl)-1-phenylbut-1-en-2-yl]-2-pyridinyl]oxy]hept-2-enamide;(E)-10-[[5-[(Z)-4,4,4-trifluoro-1-(3-fluoro-2H-indazol-5-yl)-2-phenylbut-1-enyl]-2-pyridinyl]oxy]dec-4-en-3-one (PubChem CID 159805966) has the molecular formula C188H190F20N20O12
and a molecular weight of 3301.68 g/mol. Its IUPAC name is N,N-dimethyl-7-[4-[4,4,4-trifluoro-1-(3-fluoro-2H-indazol-5-yl)-2-phenylbut-1-enyl]phenoxy]heptanamide;N,N-dimethyl-7-[[5-[(Z)-4,4,4-trifluoro-1-(3-fluoro-2H-indazol-5-yl)-2-phenylbut-1-enyl]-2-pyridinyl]oxy]heptanamide;7-[4-[(E)-1-(1H-indazol-5-yl)-2-phenylbut-1-enyl]phenoxy]-N,N-dimethylheptanamide;(E)-N-methyl-7-[[5-[(Z)-4,4,4-trifluoro-1-(3-fluoro-2H-indazol-5-yl)-2-phenylbut-1-enyl]-2-pyridinyl]oxy]hept-2-enamide;(E)-N-methyl-7-[[5-[(E)-4,4,4-trifluoro-1-(3-fluoro-1H-isoindol-5-yl)-1-phenylbut-1-en-2-yl]-2-pyridinyl]oxy]hept-2-enamide;(E)-10-[[5-[(Z)-4,4,4-trifluoro-1-(3-fluoro-2H-indazol-5-yl)-2-phenylbut-1-enyl]-2-pyridinyl]oxy]dec-4-en-3-one.
Frequently Asked Questions
What is the IUPAC name of N,N-dimethyl-7-[4-[4,4,4-trifluoro-1-(3-fluoro-2H-indazol-5-yl)-2-phenylbut-1-enyl]phenoxy]heptanamide;N,N-dimethyl-7-[[5-[(Z)-4,4,4-trifluoro-1-(3-fluoro-2H-indazol-5-yl)-2-phenylbut-1-enyl]-2-pyridinyl]oxy]heptanamide;7-[4-[(E)-1-(1H-indazol-5-yl)-2-phenylbut-1-enyl]phenoxy]-N,N-dimethylheptanamide;(E)-N-methyl-7-[[5-[(Z)-4,4,4-trifluoro-1-(3-fluoro-2H-indazol-5-yl)-2-phenylbut-1-enyl]-2-pyridinyl]oxy]hept-2-enamide;(E)-N-methyl-7-[[5-[(E)-4,4,4-trifluoro-1-(3-fluoro-1H-isoindol-5-yl)-1-phenylbut-1-en-2-yl]-2-pyridinyl]oxy]hept-2-enamide;(E)-10-[[5-[(Z)-4,4,4-trifluoro-1-(3-fluoro-2H-indazol-5-yl)-2-phenylbut-1-enyl]-2-pyridinyl]oxy]dec-4-en-3-one?
The IUPAC name of N,N-dimethyl-7-[4-[4,4,4-trifluoro-1-(3-fluoro-2H-indazol-5-yl)-2-phenylbut-1-enyl]phenoxy]heptanamide;N,N-dimethyl-7-[[5-[(Z)-4,4,4-trifluoro-1-(3-fluoro-2H-indazol-5-yl)-2-phenylbut-1-enyl]-2-pyridinyl]oxy]heptanamide;7-[4-[(E)-1-(1H-indazol-5-yl)-2-phenylbut-1-enyl]phenoxy]-N,N-dimethylheptanamide;(E)-N-methyl-7-[[5-[(Z)-4,4,4-trifluoro-1-(3-fluoro-2H-indazol-5-yl)-2-phenylbut-1-enyl]-2-pyridinyl]oxy]hept-2-enamide;(E)-N-methyl-7-[[5-[(E)-4,4,4-trifluoro-1-(3-fluoro-1H-isoindol-5-yl)-1-phenylbut-1-en-2-yl]-2-pyridinyl]oxy]hept-2-enamide;(E)-10-[[5-[(Z)-4,4,4-trifluoro-1-(3-fluoro-2H-indazol-5-yl)-2-phenylbut-1-enyl]-2-pyridinyl]oxy]dec-4-en-3-one (CID 159805966) is N,N-dimethyl-7-[4-[4,4,4-trifluoro-1-(3-fluoro-2H-indazol-5-yl)-2-phenylbut-1-enyl]phenoxy]heptanamide;N,N-dimethyl-7-[[5-[(Z)-4,4,4-trifluoro-1-(3-fluoro-2H-indazol-5-yl)-2-phenylbut-1-enyl]-2-pyridinyl]oxy]heptanamide;7-[4-[(E)-1-(1H-indazol-5-yl)-2-phenylbut-1-enyl]phenoxy]-N,N-dimethylheptanamide;(E)-N-methyl-7-[[5-[(Z)-4,4,4-trifluoro-1-(3-fluoro-2H-indazol-5-yl)-2-phenylbut-1-enyl]-2-pyridinyl]oxy]hept-2-enamide;(E)-N-methyl-7-[[5-[(E)-4,4,4-trifluoro-1-(3-fluoro-1H-isoindol-5-yl)-1-phenylbut-1-en-2-yl]-2-pyridinyl]oxy]hept-2-enamide;(E)-10-[[5-[(Z)-4,4,4-trifluoro-1-(3-fluoro-2H-indazol-5-yl)-2-phenylbut-1-enyl]-2-pyridinyl]oxy]dec-4-en-3-one.
What is the SMILES notation for N,N-dimethyl-7-[4-[4,4,4-trifluoro-1-(3-fluoro-2H-indazol-5-yl)-2-phenylbut-1-enyl]phenoxy]heptanamide;N,N-dimethyl-7-[[5-[(Z)-4,4,4-trifluoro-1-(3-fluoro-2H-indazol-5-yl)-2-phenylbut-1-enyl]-2-pyridinyl]oxy]heptanamide;7-[4-[(E)-1-(1H-indazol-5-yl)-2-phenylbut-1-enyl]phenoxy]-N,N-dimethylheptanamide;(E)-N-methyl-7-[[5-[(Z)-4,4,4-trifluoro-1-(3-fluoro-2H-indazol-5-yl)-2-phenylbut-1-enyl]-2-pyridinyl]oxy]hept-2-enamide;(E)-N-methyl-7-[[5-[(E)-4,4,4-trifluoro-1-(3-fluoro-1H-isoindol-5-yl)-1-phenylbut-1-en-2-yl]-2-pyridinyl]oxy]hept-2-enamide;(E)-10-[[5-[(Z)-4,4,4-trifluoro-1-(3-fluoro-2H-indazol-5-yl)-2-phenylbut-1-enyl]-2-pyridinyl]oxy]dec-4-en-3-one?
The canonical SMILES for N,N-dimethyl-7-[4-[4,4,4-trifluoro-1-(3-fluoro-2H-indazol-5-yl)-2-phenylbut-1-enyl]phenoxy]heptanamide;N,N-dimethyl-7-[[5-[(Z)-4,4,4-trifluoro-1-(3-fluoro-2H-indazol-5-yl)-2-phenylbut-1-enyl]-2-pyridinyl]oxy]heptanamide;7-[4-[(E)-1-(1H-indazol-5-yl)-2-phenylbut-1-enyl]phenoxy]-N,N-dimethylheptanamide;(E)-N-methyl-7-[[5-[(Z)-4,4,4-trifluoro-1-(3-fluoro-2H-indazol-5-yl)-2-phenylbut-1-enyl]-2-pyridinyl]oxy]hept-2-enamide;(E)-N-methyl-7-[[5-[(E)-4,4,4-trifluoro-1-(3-fluoro-1H-isoindol-5-yl)-1-phenylbut-1-en-2-yl]-2-pyridinyl]oxy]hept-2-enamide;(E)-10-[[5-[(Z)-4,4,4-trifluoro-1-(3-fluoro-2H-indazol-5-yl)-2-phenylbut-1-enyl]-2-pyridinyl]oxy]dec-4-en-3-one is CC/C(=C(/c1ccc(OCCCCCCC(=O)N(C)C)cc1)c1ccc2[nH]ncc2c1)c1ccccc1.CCC(=O)/C=C/CCCCCOc1ccc(/C(=C(/CC(F)(F)F)c2ccccc2)c2ccc3n[nH]c(F)c3c2)cn1.CN(C)C(=O)CCCCCCOc1ccc(/C(=C(/CC(F)(F)F)c2ccccc2)c2ccc3n[nH]c(F)c3c2)cn1.CN(C)C(=O)CCCCCCOc1ccc(C(=C(CC(F)(F)F)c2ccccc2)c2ccc3n[nH]c(F)c3c2)cc1.CNC(=O)/C=C/CCCCOc1ccc(/C(=C(/CC(F)(F)F)c2ccccc2)c2ccc3n[nH]c(F)c3c2)cn1.CNC(=O)/C=C/CCCCOc1ccc(/C(CC(F)(F)F)=C(\c2ccccc2)c2ccc3c(c2)C(F)=NC3)cn1.
What is the InChIKey of N,N-dimethyl-7-[4-[4,4,4-trifluoro-1-(3-fluoro-2H-indazol-5-yl)-2-phenylbut-1-enyl]phenoxy]heptanamide;N,N-dimethyl-7-[[5-[(Z)-4,4,4-trifluoro-1-(3-fluoro-2H-indazol-5-yl)-2-phenylbut-1-enyl]-2-pyridinyl]oxy]heptanamide;7-[4-[(E)-1-(1H-indazol-5-yl)-2-phenylbut-1-enyl]phenoxy]-N,N-dimethylheptanamide;(E)-N-methyl-7-[[5-[(Z)-4,4,4-trifluoro-1-(3-fluoro-2H-indazol-5-yl)-2-phenylbut-1-enyl]-2-pyridinyl]oxy]hept-2-enamide;(E)-N-methyl-7-[[5-[(E)-4,4,4-trifluoro-1-(3-fluoro-1H-isoindol-5-yl)-1-phenylbut-1-en-2-yl]-2-pyridinyl]oxy]hept-2-enamide;(E)-10-[[5-[(Z)-4,4,4-trifluoro-1-(3-fluoro-2H-indazol-5-yl)-2-phenylbut-1-enyl]-2-pyridinyl]oxy]dec-4-en-3-one?
The InChIKey is NKJZGUWXMBBHHO-ZMKVDVRPSA-N. The full InChI is InChI=1S/C32H33F4N3O2.C32H31F4N3O2.C32H37N3O2.C31H32F4N4O2.C31H29F4N3O2.C30H28F4N4O2/c1-39(2)29(40)12-8-3-4-9-19-41-25-16-13-23(14-17-25)30(24-15-18-28-26(20-24)31(33)38-37-28)27(21-32(34,35)36)22-10-6-5-7-11-22;1-2-25(40)13-9-4-3-5-10-18-41-29-17-15-24(21-37-29)30(23-14-16-28-26(19-23)31(33)39-38-28)27(20-32(34,35)36)22-11-7-6-8-12-22;1-4-29(24-12-8-7-9-13-24)32(26-17-20-30-27(22-26)23-33-34-30)25-15-18-28(19-16-25)37-21-11-6-5-10-14-31(36)35(2)3;1-39(2)28(40)12-8-3-4-9-17-41-27-16-14-23(20-36-27)29(22-13-15-26-24(18-22)30(32)38-37-26)25(19-31(33,34)35)21-10-6-5-7-11-21;1-36-27(39)11-7-2-3-8-16-40-28-15-14-24(19-37-28)26(18-31(33,34)35)29(21-9-5-4-6-10-21)22-12-13-23-20-38-30(32)25(23)17-22;1-35-26(39)11-7-2-3-8-16-40-27-15-13-22(19-36-27)28(21-12-14-25-23(17-21)29(31)38-37-25)24(18-30(32,33)34)20-9-5-4-6-10-20/h5-7,10-11,13-18,20H,3-4,8-9,12,19,21H2,1-2H3,(H,37,38);6-9,11-17,19,21H,2-5,10,18,20H2,1H3,(H,38,39);7-9,12-13,15-20,22-23H,4-6,10-11,14,21H2,1-3H3,(H,33,34);5-7,10-11,13-16,18,20H,3-4,8-9,12,17,19H2,1-2H3,(H,37,38);4-7,9-15,17,19H,2-3,8,16,18,20H2,1H3,(H,36,39);4-7,9-15,17,19H,2-3,8,16,18H2,1H3,(H,35,39)(H,37,38)/b;13-9+,30-27-;32-29+;29-25-;11-7+,29-26+;11-7+,28-24-.
What are the key properties of N,N-dimethyl-7-[4-[4,4,4-trifluoro-1-(3-fluoro-2H-indazol-5-yl)-2-phenylbut-1-enyl]phenoxy]heptanamide;N,N-dimethyl-7-[[5-[(Z)-4,4,4-trifluoro-1-(3-fluoro-2H-indazol-5-yl)-2-phenylbut-1-enyl]-2-pyridinyl]oxy]heptanamide;7-[4-[(E)-1-(1H-indazol-5-yl)-2-phenylbut-1-enyl]phenoxy]-N,N-dimethylheptanamide;(E)-N-methyl-7-[[5-[(Z)-4,4,4-trifluoro-1-(3-fluoro-2H-indazol-5-yl)-2-phenylbut-1-enyl]-2-pyridinyl]oxy]hept-2-enamide;(E)-N-methyl-7-[[5-[(E)-4,4,4-trifluoro-1-(3-fluoro-1H-isoindol-5-yl)-1-phenylbut-1-en-2-yl]-2-pyridinyl]oxy]hept-2-enamide;(E)-10-[[5-[(Z)-4,4,4-trifluoro-1-(3-fluoro-2H-indazol-5-yl)-2-phenylbut-1-enyl]-2-pyridinyl]oxy]dec-4-en-3-one?
N,N-dimethyl-7-[4-[4,4,4-trifluoro-1-(3-fluoro-2H-indazol-5-yl)-2-phenylbut-1-enyl]phenoxy]heptanamide;N,N-dimethyl-7-[[5-[(Z)-4,4,4-trifluoro-1-(3-fluoro-2H-indazol-5-yl)-2-phenylbut-1-enyl]-2-pyridinyl]oxy]heptanamide;7-[4-[(E)-1-(1H-indazol-5-yl)-2-phenylbut-1-enyl]phenoxy]-N,N-dimethylheptanamide;(E)-N-methyl-7-[[5-[(Z)-4,4,4-trifluoro-1-(3-fluoro-2H-indazol-5-yl)-2-phenylbut-1-enyl]-2-pyridinyl]oxy]hept-2-enamide;(E)-N-methyl-7-[[5-[(E)-4,4,4-trifluoro-1-(3-fluoro-1H-isoindol-5-yl)-1-phenylbut-1-en-2-yl]-2-pyridinyl]oxy]hept-2-enamide;(E)-10-[[5-[(Z)-4,4,4-trifluoro-1-(3-fluoro-2H-indazol-5-yl)-2-phenylbut-1-enyl]-2-pyridinyl]oxy]dec-4-en-3-one has a molecular weight of 3301.68 g/mol, XLogP of 45.22, 71 rotatable bonds, 7 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-7-[4-[4,4,4-trifluoro-1-(3-fluoro-2H-indazol-5-yl)-2-phenylbut-1-enyl]phenoxy]heptanamide;N,N-dimethyl-7-[[5-[(Z)-4,4,4-trifluoro-1-(3-fluoro-2H-indazol-5-yl)-2-phenylbut-1-enyl]-2-pyridinyl]oxy]heptanamide;7-[4-[(E)-1-(1H-indazol-5-yl)-2-phenylbut-1-enyl]phenoxy]-N,N-dimethylheptanamide;(E)-N-methyl-7-[[5-[(Z)-4,4,4-trifluoro-1-(3-fluoro-2H-indazol-5-yl)-2-phenylbut-1-enyl]-2-pyridinyl]oxy]hept-2-enamide;(E)-N-methyl-7-[[5-[(E)-4,4,4-trifluoro-1-(3-fluoro-1H-isoindol-5-yl)-1-phenylbut-1-en-2-yl]-2-pyridinyl]oxy]hept-2-enamide;(E)-10-[[5-[(Z)-4,4,4-trifluoro-1-(3-fluoro-2H-indazol-5-yl)-2-phenylbut-1-enyl]-2-pyridinyl]oxy]dec-4-en-3-one is sourced from PubChem (CID 159805966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).