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

Systemtic Name: 3-[[4-(4-cyanophenyl)piperazin-1-yl]methyl]-1-oxidanylidene-2-phenyl-N-[(1S)-1-phenylpropyl]isoquinoline-4-carboxamide Openeye Name: 3-[[4-(4-cyanophenyl)piperazin-1-yl]methyl]-1-oxo-2-phenyl-N-[(1S)-1-phenylpropyl]isoquinoline-4-carboxamide CAS Name: 3-[[4-(4-cyanophenyl)-1-piperazinyl]methyl]-1-oxo-2-phenyl-N-[(1S)-1-phenylpropyl]-4-isoquinolinecarboxamide IUPAC Name: 3-[[4-(4-cyanophenyl)piperazin-1-yl]methyl]-1-oxo-2-phenyl-N-[(1S)-1-phenylpropyl]isoquinoline-4-carboxamide Traditional Name: 3-[[4-(4-cyanophenyl)piperazino]methyl]-1-keto-2-phenyl-N-[(1S)-1-phenylpropyl]isoquinoline-4-carboxamide Formula: C37H35N5O2 MolecularWeight: 581.7061

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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)C#N

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)C#N

InChI

InChI=1S/C37H35N5O2/c1-2-33(28-11-5-3-6-12-28)39-36(43)35-31-15-9-10-16-32(31)37(44)42(30-13-7-4-8-14-30)34(35)26-40-21-23-41(24-22-40)29-19-17-27(25-38)18-20-29/h3-20,33H,2,21-24,26H2,1H3,(H,39,43)/t33-/m0/s1