4a-(phenylmethyl)-2-prop-1-ynyl-7-(6-pyrrolidin-1-ylpyridin-2-yl)oxy-1,3,4,9,10,10a-hexahydrophenanthren-2-ol

Systemtic Name: 4a-(phenylmethyl)-2-prop-1-ynyl-7-(6-pyrrolidin-1-ylpyridin-2-yl)oxy-1,3,4,9,10,10a-hexahydrophenanthren-2-ol Openeye Name: 4a-benzyl-2-prop-1-ynyl-7-[(6-pyrrolidin-1-yl-2-pyridyl)oxy]-1,3,4,9,10,10a-hexahydrophenanthren-2-ol CAS Name: 4a-(phenylmethyl)-2-prop-1-ynyl-7-[[6-(1-pyrrolidinyl)-2-pyridinyl]oxy]-1,3,4,9,10,10a-hexahydrophenanthren-2-ol IUPAC Name: 4a-benzyl-2-prop-1-ynyl-7-(6-pyrrolidin-1-ylpyridin-2-yl)oxy-1,3,4,9,10,10a-hexahydrophenanthren-2-ol Traditional Name: 4a-benzyl-2-prop-1-ynyl-7-[(6-pyrrolidino-2-pyridyl)oxy]-1,3,4,9,10,10a-hexahydrophenanthren-2-ol Formula: C33H36N2O2 MolecularWeight: 492.65114

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Descriptors Computed from Structure

Canonical SMILES:

CC#CC1(CCC2(C(C1)CCC3=C2C=CC(=C3)OC4=CC=CC(=N4)N5CCCC5)CC6=CC=CC=C6)O

Isomeric SMILES

CC#CC1(CCC2(C(C1)CCC3=C2C=CC(=C3)OC4=CC=CC(=N4)N5CCCC5)CC6=CC=CC=C6)O

InChI

InChI=1S/C33H36N2O2/c1-2-17-32(36)18-19-33(23-25-9-4-3-5-10-25)27(24-32)14-13-26-22-28(15-16-29(26)33)37-31-12-8-11-30(34-31)35-20-6-7-21-35/h3-5,8-12,15-16,22,27,36H,6-7,13-14,18-21,23-24H2,1H3