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

Systemtic Name: 3-[[4-(hydroxymethyl)piperidin-1-yl]methyl]-1-oxidanylidene-2-phenyl-N-[(1S)-1-phenylpropyl]isoquinoline-4-carboxamide Openeye Name: 3-[[4-(hydroxymethyl)-1-piperidyl]methyl]-1-oxo-2-phenyl-N-[(1S)-1-phenylpropyl]isoquinoline-4-carboxamide CAS Name: 3-[[4-(hydroxymethyl)-1-piperidinyl]methyl]-1-oxo-2-phenyl-N-[(1S)-1-phenylpropyl]-4-isoquinolinecarboxamide IUPAC Name: 3-[[4-(hydroxymethyl)piperidin-1-yl]methyl]-1-oxo-2-phenyl-N-[(1S)-1-phenylpropyl]isoquinoline-4-carboxamide Traditional Name: 1-keto-3-[(4-methylolpiperidino)methyl]-2-phenyl-N-[(1S)-1-phenylpropyl]isoquinoline-4-carboxamide Formula: C32H35N3O3 MolecularWeight: 509.6386

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)CO

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)CO

InChI

InChI=1S/C32H35N3O3/c1-2-28(24-11-5-3-6-12-24)33-31(37)30-26-15-9-10-16-27(26)32(38)35(25-13-7-4-8-14-25)29(30)21-34-19-17-23(22-36)18-20-34/h3-16,23,28,36H,2,17-22H2,1H3,(H,33,37)/t28-/m0/s1