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

Systemtic Name: 1-oxidanylidene-3-[[4-[(2S)-oxolan-2-yl]carbonylpiperazin-1-yl]methyl]-2-phenyl-N-(1-phenylpropyl)isoquinoline-4-carboxamide Openeye Name: 1-oxo-2-phenyl-N-(1-phenylpropyl)-3-[[4-[(2S)-tetrahydrofuran-2-carbonyl]piperazin-1-yl]methyl]isoquinoline-4-carboxamide CAS Name: 1-oxo-3-[[4-[oxo-[(2S)-2-oxolanyl]methyl]-1-piperazinyl]methyl]-2-phenyl-N-(1-phenylpropyl)-4-isoquinolinecarboxamide IUPAC Name: 1-oxo-3-[[4-[(2S)-oxolane-2-carbonyl]piperazin-1-yl]methyl]-2-phenyl-N-(1-phenylpropyl)isoquinoline-4-carboxamide Traditional Name: 1-keto-2-phenyl-N-(1-phenylpropyl)-3-[[4-[(2S)-tetrahydrofuran-2-carbonyl]piperazino]methyl]isoquinoline-4-carboxamide Formula: C35H38N4O4 MolecularWeight: 578.70062

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)CN5CCN(CC5)C(=O)C6CCCO6

Isomeric SMILES

CCC(C1=CC=CC=C1)NC(=O)C2=C(N(C(=O)C3=CC=CC=C32)C4=CC=CC=C4)CN5CCN(CC5)C(=O)[C@@H]6CCCO6

InChI

InChI=1S/C35H38N4O4/c1-2-29(25-12-5-3-6-13-25)36-33(40)32-27-16-9-10-17-28(27)34(41)39(26-14-7-4-8-15-26)30(32)24-37-19-21-38(22-20-37)35(42)31-18-11-23-43-31/h3-10,12-17,29,31H,2,11,18-24H2,1H3,(H,36,40)/t29?,31-/m0/s1