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

Systemtic Name: 3-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]-1-oxidanylidene-2-phenyl-N-[(1S)-1-phenylpropyl]isoquinoline-4-carboxamide Openeye Name: 3-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]-1-oxo-2-phenyl-N-[(1S)-1-phenylpropyl]isoquinoline-4-carboxamide CAS Name: 3-[[4-(4-chlorophenyl)-1-piperazinyl]methyl]-1-oxo-2-phenyl-N-[(1S)-1-phenylpropyl]-4-isoquinolinecarboxamide IUPAC Name: 3-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]-1-oxo-2-phenyl-N-[(1S)-1-phenylpropyl]isoquinoline-4-carboxamide Traditional Name: 3-[[4-(4-chlorophenyl)piperazino]methyl]-1-keto-2-phenyl-N-[(1S)-1-phenylpropyl]isoquinoline-4-carboxamide Formula: C36H35ClN4O2 MolecularWeight: 591.1417

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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=C(C=C6)Cl

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=C(C=C6)Cl

InChI

InChI=1S/C36H35ClN4O2/c1-2-32(26-11-5-3-6-12-26)38-35(42)34-30-15-9-10-16-31(30)36(43)41(29-13-7-4-8-14-29)33(34)25-39-21-23-40(24-22-39)28-19-17-27(37)18-20-28/h3-20,32H,2,21-25H2,1H3,(H,38,42)/t32-/m0/s1