4a-ethyl-2,7-bis(oxidanyl)-2-pyridin-3-yl-4,9,10,10a-tetrahydro-1H-phenanthren-3-one

Systemtic Name: 4a-ethyl-2,7-bis(oxidanyl)-2-pyridin-3-yl-4,9,10,10a-tetrahydro-1H-phenanthren-3-one Openeye Name: 4a-ethyl-2,7-dihydroxy-2-(3-pyridyl)-4,9,10,10a-tetrahydro-1H-phenanthren-3-one CAS Name: 4a-ethyl-2,7-dihydroxy-2-(3-pyridinyl)-4,9,10,10a-tetrahydro-1H-phenanthren-3-one IUPAC Name: 4a-ethyl-2,7-dihydroxy-2-pyridin-3-yl-4,9,10,10a-tetrahydro-1H-phenanthren-3-one Traditional Name: 4a-ethyl-2,7-dihydroxy-2-(3-pyridyl)-4,9,10,10a-tetrahydro-1H-phenanthren-3-one Formula: C21H23NO3 MolecularWeight: 337.41222

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Descriptors Computed from Structure

Canonical SMILES:

CCC12CC(=O)C(CC1CCC3=C2C=CC(=C3)O)(C4=CN=CC=C4)O

Isomeric SMILES

CCC12CC(=O)C(CC1CCC3=C2C=CC(=C3)O)(C4=CN=CC=C4)O

InChI

InChI=1S/C21H23NO3/c1-2-20-12-19(24)21(25,16-4-3-9-22-13-16)11-15(20)6-5-14-10-17(23)7-8-18(14)20/h3-4,7-10,13,15,23,25H,2,5-6,11-12H2,1H3