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

Systemtic Name: 3-[[4-(3-methoxyphenyl)piperazin-1-yl]methyl]-1-oxidanylidene-2-phenyl-N-[(1S)-1-phenylpropyl]isoquinoline-4-carboxamide Openeye Name: 3-[[4-(3-methoxyphenyl)piperazin-1-yl]methyl]-1-oxo-2-phenyl-N-[(1S)-1-phenylpropyl]isoquinoline-4-carboxamide CAS Name: 3-[[4-(3-methoxyphenyl)-1-piperazinyl]methyl]-1-oxo-2-phenyl-N-[(1S)-1-phenylpropyl]-4-isoquinolinecarboxamide IUPAC Name: 3-[[4-(3-methoxyphenyl)piperazin-1-yl]methyl]-1-oxo-2-phenyl-N-[(1S)-1-phenylpropyl]isoquinoline-4-carboxamide Traditional Name: 1-keto-3-[[4-(3-methoxyphenyl)piperazino]methyl]-2-phenyl-N-[(1S)-1-phenylpropyl]isoquinoline-4-carboxamide Formula: C37H38N4O3 MolecularWeight: 586.72262

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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)C6=CC(=CC=C6)OC

Isomeric SMILES

CC[C@@H](C1=CC=CC=C1)NC(=O)C2=C(N(C(=O)C3=CC=CC=C32)C4=CC=CC=C4)CN5CCN(CC5)C6=CC(=CC=C6)OC

InChI

InChI=1S/C37H38N4O3/c1-3-33(27-13-6-4-7-14-27)38-36(42)35-31-19-10-11-20-32(31)37(43)41(28-15-8-5-9-16-28)34(35)26-39-21-23-40(24-22-39)29-17-12-18-30(25-29)44-2/h4-20,25,33H,3,21-24,26H2,1-2H3,(H,38,42)/t33-/m0/s1