[(2Z,8R,9S,13S,14S,17S)-2-(2,5-diphenyl-1H-pyrazol-3-ylidene)-13-methyl-3-oxidanylidene-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl] ethanoate

Systemtic Name: [(2Z,8R,9S,13S,14S,17S)-2-(2,5-diphenyl-1H-pyrazol-3-ylidene)-13-methyl-3-oxidanylidene-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl] ethanoate Openeye Name: [(2Z,8R,9S,13S,14S,17S)-2-(2,5-diphenyl-1H-pyrazol-3-ylidene)-13-methyl-3-oxo-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl] acetate CAS Name: acetic acid [(2Z,8R,9S,13S,14S,17S)-2-(2,5-diphenyl-1H-pyrazol-3-ylidene)-13-methyl-3-oxo-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl] ester IUPAC Name: [(2Z,8R,9S,13S,14S,17S)-2-(2,5-diphenyl-1H-pyrazol-3-ylidene)-13-methyl-3-oxo-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl] acetate Traditional Name: acetic acid [(2Z,8R,9S,13S,14S,17S)-2-(2,5-diphenyl-3-pyrazolin-3-ylidene)-3-keto-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl] ester Formula: C35H36N2O3 MolecularWeight: 532.67194

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1CCC2C1(CCC3C2CCC4=CC(=O)C(=C5C=C(NN5C6=CC=CC=C6)C7=CC=CC=C7)C=C34)C

Isomeric SMILES

CC(=O)O[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=CC(=O)/C(=C\5/C=C(NN5C6=CC=CC=C6)C7=CC=CC=C7)/C=C34)C

InChI

InChI=1S/C35H36N2O3/c1-22(38)40-34-16-15-30-27-14-13-24-19-33(39)29(20-28(24)26(27)17-18-35(30,34)2)32-21-31(23-9-5-3-6-10-23)36-37(32)25-11-7-4-8-12-25/h3-12,19-21,26-27,30,34,36H,13-18H2,1-2H3/b32-29-/t26-,27+,30-,34-,35-/m0/s1