13-methyl-11-(4-piperidin-1-ylphenyl)-17-propanoyl-17-prop-1-ynyl-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-3-one

Systemtic Name: 13-methyl-11-(4-piperidin-1-ylphenyl)-17-propanoyl-17-prop-1-ynyl-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-3-one Openeye Name: 13-methyl-11-[4-(1-piperidyl)phenyl]-17-propanoyl-17-prop-1-ynyl-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-3-one CAS Name: 13-methyl-17-(1-oxopropyl)-11-[4-(1-piperidinyl)phenyl]-17-prop-1-ynyl-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-3-one IUPAC Name: 13-methyl-11-(4-piperidin-1-ylphenyl)-17-propanoyl-17-prop-1-ynyl-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-3-one Traditional Name: 13-methyl-11-(4-piperidinophenyl)-17-propionyl-17-prop-1-ynyl-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-3-one Formula: C35H43NO2 MolecularWeight: 509.72142

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)C1(CCC2C1(CC(C3=C4CCC(=O)C=C4CCC23)C5=CC=C(C=C5)N6CCCCC6)C)C#CC

Isomeric SMILES

CCC(=O)C1(CCC2C1(CC(C3=C4CCC(=O)C=C4CCC23)C5=CC=C(C=C5)N6CCCCC6)C)C#CC

InChI

InChI=1S/C35H43NO2/c1-4-18-35(32(38)5-2)19-17-31-29-15-11-25-22-27(37)14-16-28(25)33(29)30(23-34(31,35)3)24-9-12-26(13-10-24)36-20-7-6-8-21-36/h9-10,12-13,22,29-31H,5-8,11,14-17,19-21,23H2,1-3H3