N'-[(1E)-1-[(5S,8R,9S,10S,13S,14S)-10,13-dimethyl-1,4,5,6,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-ylidene]ethyl]pyridine-4-carbohydrazide

Systemtic Name: N'-[(1E)-1-[(5S,8R,9S,10S,13S,14S)-10,13-dimethyl-1,4,5,6,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-ylidene]ethyl]pyridine-4-carbohydrazide Openeye Name: N'-[(1E)-1-[(5S,8R,9S,10S,13S,14S)-10,13-dimethyl-1,4,5,6,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-ylidene]ethyl]pyridine-4-carbohydrazide CAS Name: N'-[(1E)-1-[(5S,8R,9S,10S,13S,14S)-10,13-dimethyl-1,4,5,6,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-ylidene]ethyl]-4-pyridinecarbohydrazide IUPAC Name: N'-[(1E)-1-[(5S,8R,9S,10S,13S,14S)-10,13-dimethyl-1,4,5,6,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-ylidene]ethyl]pyridine-4-carbohydrazide Traditional Name: N'-[(1E)-1-[(5S,8R,9S,10S,13S,14S)-10,13-dimethyl-1,4,5,6,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-ylidene]ethyl]isonicotinohydrazide Formula: C27H37N3O MolecularWeight: 419.60218

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=C1CCC2C1(CCC3C2CCC4C3(CC=CC4)C)C)NNC(=O)C5=CC=NC=C5

Isomeric SMILES

C/C(=C\1/CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@@H]4[C@@]3(CC=CC4)C)C)/NNC(=O)C5=CC=NC=C5

InChI

InChI=1S/C27H37N3O/c1-18(29-30-25(31)19-12-16-28-17-13-19)22-9-10-23-21-8-7-20-6-4-5-14-26(20,2)24(21)11-15-27(22,23)3/h4-5,12-13,16-17,20-21,23-24,29H,6-11,14-15H2,1-3H3,(H,30,31)/b22-18+/t20-,21+,23+,24+,26+,27-/m1/s1