4-[10,13-dimethyl-3,7-bis(oxidanyl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]-N-[(E)-(4-fluorophenyl)methylideneamino]pentanamide

Systemtic Name: 4-[10,13-dimethyl-3,7-bis(oxidanyl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]-N-[(E)-(4-fluorophenyl)methylideneamino]pentanamide Openeye Name: 4-(3,7-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)-N-[(E)-(4-fluorophenyl)methyleneamino]pentanamide CAS Name: 4-(3,7-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)-N-[(E)-(4-fluorophenyl)methylideneamino]pentanamide IUPAC Name: 4-(3,7-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)-N-[(E)-(4-fluorophenyl)methylideneamino]pentanamide Traditional Name: 4-(3,7-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)-N-[(E)-(4-fluorobenzylidene)amino]valeramide Formula: C31H45FN2O3 MolecularWeight: 512.699003

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCC(=O)NN=CC1=CC=C(C=C1)F)C2CCC3C2(CCC4C3C(CC5C4(CCC(C5)O)C)O)C

Isomeric SMILES

CC(CCC(=O)N/N=C/C1=CC=C(C=C1)F)C2CCC3C2(CCC4C3C(CC5C4(CCC(C5)O)C)O)C

InChI

InChI=1S/C31H45FN2O3/c1-19(4-11-28(37)34-33-18-20-5-7-22(32)8-6-20)24-9-10-25-29-26(13-15-31(24,25)3)30(2)14-12-23(35)16-21(30)17-27(29)36/h5-8,18-19,21,23-27,29,35-36H,4,9-17H2,1-3H3,(H,34,37)/b33-18+