2-(3-methoxy-13-methyl-17-oxidanyl-7,8,12,14,15,16-hexahydro-6H-cyclopenta[a]phenanthren-17-yl)ethanenitrile

Systemtic Name: 2-(3-methoxy-13-methyl-17-oxidanyl-7,8,12,14,15,16-hexahydro-6H-cyclopenta[a]phenanthren-17-yl)ethanenitrile Openeye Name: 2-(17-hydroxy-3-methoxy-13-methyl-7,8,12,14,15,16-hexahydro-6H-cyclopenta[a]phenanthren-17-yl)acetonitrile CAS Name: 2-(17-hydroxy-3-methoxy-13-methyl-7,8,12,14,15,16-hexahydro-6H-cyclopenta[a]phenanthren-17-yl)acetonitrile IUPAC Name: 2-(17-hydroxy-3-methoxy-13-methyl-7,8,12,14,15,16-hexahydro-6H-cyclopenta[a]phenanthren-17-yl)acetonitrile Traditional Name: 2-(17-hydroxy-3-methoxy-13-methyl-7,8,12,14,15,16-hexahydro-6H-cyclopenta[a]phenanthren-17-yl)acetonitrile Formula: C21H25NO2 MolecularWeight: 323.4287

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC12CC=C3C(C1CCC2(CC#N)O)CCC4=C3C=CC(=C4)OC

Isomeric SMILES

CC12CC=C3C(C1CCC2(CC#N)O)CCC4=C3C=CC(=C4)OC

InChI

InChI=1S/C21H25NO2/c1-20-9-7-17-16-6-4-15(24-2)13-14(16)3-5-18(17)19(20)8-10-21(20,23)11-12-22/h4,6-7,13,18-19,23H,3,5,8-11H2,1-2H3