13-methyl-1-(4-pyrimidin-5-ylphenyl)-2,8,9,10,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-one

Systemtic Name: 13-methyl-1-(4-pyrimidin-5-ylphenyl)-2,8,9,10,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-one Openeye Name: 13-methyl-1-(4-pyrimidin-5-ylphenyl)-2,8,9,10,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-one CAS Name: 13-methyl-1-[4-(5-pyrimidinyl)phenyl]-2,8,9,10,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-one IUPAC Name: 13-methyl-1-(4-pyrimidin-5-ylphenyl)-2,8,9,10,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-one Traditional Name: 13-methyl-1-[4-(5-pyrimidyl)phenyl]-2,8,9,10,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-one Formula: C28H30N2O MolecularWeight: 410.5506

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Descriptors Computed from Structure

Canonical SMILES:

CC12CCCC1C3C=CC4=CC(=O)CC(C4C3CC2)C5=CC=C(C=C5)C6=CN=CN=C6

Isomeric SMILES

CC12CCCC1C3C=CC4=CC(=O)CC(C4C3CC2)C5=CC=C(C=C5)C6=CN=CN=C6

InChI

InChI=1S/C28H30N2O/c1-28-11-2-3-26(28)23-9-8-20-13-22(31)14-25(27(20)24(23)10-12-28)19-6-4-18(5-7-19)21-15-29-17-30-16-21/h4-9,13,15-17,23-27H,2-3,10-12,14H2,1H3