4a-(phenylmethyl)-2-prop-1-ynyl-7-pyridin-2-yl-1,3,4,9,10,10a-hexahydrophenanthren-2-ol

Systemtic Name: 4a-(phenylmethyl)-2-prop-1-ynyl-7-pyridin-2-yl-1,3,4,9,10,10a-hexahydrophenanthren-2-ol Openeye Name: 4a-benzyl-2-prop-1-ynyl-7-(2-pyridyl)-1,3,4,9,10,10a-hexahydrophenanthren-2-ol CAS Name: 4a-(phenylmethyl)-2-prop-1-ynyl-7-(2-pyridinyl)-1,3,4,9,10,10a-hexahydrophenanthren-2-ol IUPAC Name: 4a-benzyl-2-prop-1-ynyl-7-pyridin-2-yl-1,3,4,9,10,10a-hexahydrophenanthren-2-ol Traditional Name: 4a-benzyl-2-prop-1-ynyl-7-(2-pyridyl)-1,3,4,9,10,10a-hexahydrophenanthren-2-ol Formula: C29H29NO MolecularWeight: 407.54666

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Descriptors Computed from Structure

Canonical SMILES:

CC#CC1(CCC2(C(C1)CCC3=C2C=CC(=C3)C4=CC=CC=N4)CC5=CC=CC=C5)O

Isomeric SMILES

CC#CC1(CCC2(C(C1)CCC3=C2C=CC(=C3)C4=CC=CC=N4)CC5=CC=CC=C5)O

InChI

InChI=1S/C29H29NO/c1-2-15-28(31)16-17-29(20-22-8-4-3-5-9-22)25(21-28)13-11-23-19-24(12-14-26(23)29)27-10-6-7-18-30-27/h3-10,12,14,18-19,25,31H,11,13,16-17,20-21H2,1H3