(4bS,7R,8aR)-7-oxidanyl-4b-(phenylmethyl)-7-prop-1-ynyl-N-(pyridin-4-ylmethyl)-5,6,8,8a,9,10-hexahydrophenanthrene-2-carboxamide

Systemtic Name: (4bS,7R,8aR)-7-oxidanyl-4b-(phenylmethyl)-7-prop-1-ynyl-N-(pyridin-4-ylmethyl)-5,6,8,8a,9,10-hexahydrophenanthrene-2-carboxamide Openeye Name: (4bS,7R,8aR)-4b-benzyl-7-hydroxy-7-prop-1-ynyl-N-(4-pyridylmethyl)-5,6,8,8a,9,10-hexahydrophenanthrene-2-carboxamide CAS Name: (4bS,7R,8aR)-7-hydroxy-4b-(phenylmethyl)-7-prop-1-ynyl-N-(pyridin-4-ylmethyl)-5,6,8,8a,9,10-hexahydrophenanthrene-2-carboxamide IUPAC Name: (4bS,7R,8aR)-4b-benzyl-7-hydroxy-7-prop-1-ynyl-N-(pyridin-4-ylmethyl)-5,6,8,8a,9,10-hexahydrophenanthrene-2-carboxamide Traditional Name: (4bS,7R,8aR)-4b-benzyl-7-hydroxy-7-prop-1-ynyl-N-(4-pyridylmethyl)-5,6,8,8a,9,10-hexahydrophenanthrene-2-carboxamide Formula: C31H32N2O2 MolecularWeight: 464.59798

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Descriptors Computed from Structure

Canonical SMILES:

CC#CC1(CCC2(C(C1)CCC3=C2C=CC(=C3)C(=O)NCC4=CC=NC=C4)CC5=CC=CC=C5)O

Isomeric SMILES

CC#C[C@]1(CC[C@@]2([C@@H](C1)CCC3=C2C=CC(=C3)C(=O)NCC4=CC=NC=C4)CC5=CC=CC=C5)O

InChI

InChI=1S/C31H32N2O2/c1-2-14-30(35)15-16-31(20-23-6-4-3-5-7-23)27(21-30)10-8-25-19-26(9-11-28(25)31)29(34)33-22-24-12-17-32-18-13-24/h3-7,9,11-13,17-19,27,35H,8,10,15-16,20-22H2,1H3,(H,33,34)/t27-,30-,31+/m1/s1