2-[[4b-ethyl-6-methyl-6,7-bis(oxidanyl)-7-pyridin-2-yl-8,8a,9,10-tetrahydro-5H-phenanthren-2-yl]oxy]ethanenitrile

Systemtic Name: 2-[[4b-ethyl-6-methyl-6,7-bis(oxidanyl)-7-pyridin-2-yl-8,8a,9,10-tetrahydro-5H-phenanthren-2-yl]oxy]ethanenitrile Openeye Name: 2-[[4b-ethyl-6,7-dihydroxy-6-methyl-7-(2-pyridyl)-8,8a,9,10-tetrahydro-5H-phenanthren-2-yl]oxy]acetonitrile CAS Name: 2-[[4b-ethyl-6,7-dihydroxy-6-methyl-7-(2-pyridinyl)-8,8a,9,10-tetrahydro-5H-phenanthren-2-yl]oxy]acetonitrile IUPAC Name: 2-[(4b-ethyl-6,7-dihydroxy-6-methyl-7-pyridin-2-yl-8,8a,9,10-tetrahydro-5H-phenanthren-2-yl)oxy]acetonitrile Traditional Name: 2-[[4b-ethyl-6,7-dihydroxy-6-methyl-7-(2-pyridyl)-8,8a,9,10-tetrahydro-5H-phenanthren-2-yl]oxy]acetonitrile Formula: C24H28N2O3 MolecularWeight: 392.49072

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Descriptors Computed from Structure

Canonical SMILES:

CCC12CC(C(CC1CCC3=C2C=CC(=C3)OCC#N)(C4=CC=CC=N4)O)(C)O

Isomeric SMILES

CCC12CC(C(CC1CCC3=C2C=CC(=C3)OCC#N)(C4=CC=CC=N4)O)(C)O

InChI

InChI=1S/C24H28N2O3/c1-3-23-16-22(2,27)24(28,21-6-4-5-12-26-21)15-18(23)8-7-17-14-19(29-13-11-25)9-10-20(17)23/h4-6,9-10,12,14,18,27-28H,3,7-8,13,15-16H2,1-2H3