1-oxidanylidene-3-[[4-oxidanyl-4-(phenylmethyl)piperidin-1-yl]methyl]-2-phenyl-N-[(1S)-1-phenylpropyl]isoquinoline-4-carboxamide

Systemtic Name: 1-oxidanylidene-3-[[4-oxidanyl-4-(phenylmethyl)piperidin-1-yl]methyl]-2-phenyl-N-[(1S)-1-phenylpropyl]isoquinoline-4-carboxamide Openeye Name: 3-[(4-benzyl-4-hydroxy-1-piperidyl)methyl]-1-oxo-2-phenyl-N-[(1S)-1-phenylpropyl]isoquinoline-4-carboxamide CAS Name: 3-[[4-hydroxy-4-(phenylmethyl)-1-piperidinyl]methyl]-1-oxo-2-phenyl-N-[(1S)-1-phenylpropyl]-4-isoquinolinecarboxamide IUPAC Name: 3-[(4-benzyl-4-hydroxypiperidin-1-yl)methyl]-1-oxo-2-phenyl-N-[(1S)-1-phenylpropyl]isoquinoline-4-carboxamide Traditional Name: 3-[(4-benzyl-4-hydroxy-piperidino)methyl]-1-keto-2-phenyl-N-[(1S)-1-phenylpropyl]isoquinoline-4-carboxamide Formula: C38H39N3O3 MolecularWeight: 585.73456

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CC=CC=C1)NC(=O)C2=C(N(C(=O)C3=CC=CC=C32)C4=CC=CC=C4)CN5CCC(CC5)(CC6=CC=CC=C6)O

Isomeric SMILES

CC[C@@H](C1=CC=CC=C1)NC(=O)C2=C(N(C(=O)C3=CC=CC=C32)C4=CC=CC=C4)CN5CCC(CC5)(CC6=CC=CC=C6)O

InChI

InChI=1S/C38H39N3O3/c1-2-33(29-16-8-4-9-17-29)39-36(42)35-31-20-12-13-21-32(31)37(43)41(30-18-10-5-11-19-30)34(35)27-40-24-22-38(44,23-25-40)26-28-14-6-3-7-15-28/h3-21,33,44H,2,22-27H2,1H3,(H,39,42)/t33-/m0/s1