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

Systemtic Name: 2-(3-chlorophenyl)-1-oxidanylidene-3-[(4-phenethylpiperazin-1-yl)methyl]-N-[(1S)-1-phenylpropyl]isoquinoline-4-carboxamide Openeye Name: 2-(3-chlorophenyl)-1-oxo-3-[(4-phenethylpiperazin-1-yl)methyl]-N-[(1S)-1-phenylpropyl]isoquinoline-4-carboxamide CAS Name: 2-(3-chlorophenyl)-1-oxo-3-[(4-phenethyl-1-piperazinyl)methyl]-N-[(1S)-1-phenylpropyl]-4-isoquinolinecarboxamide IUPAC Name: 2-(3-chlorophenyl)-1-oxo-3-[(4-phenethylpiperazin-1-yl)methyl]-N-[(1S)-1-phenylpropyl]isoquinoline-4-carboxamide Traditional Name: 2-(3-chlorophenyl)-1-keto-3-[(4-phenethylpiperazino)methyl]-N-[(1S)-1-phenylpropyl]isoquinoline-4-carboxamide Formula: C38H39ClN4O2 MolecularWeight: 619.19486

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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)Cl)CN5CCN(CC5)CCC6=CC=CC=C6

Isomeric SMILES

CC[C@@H](C1=CC=CC=C1)NC(=O)C2=C(N(C(=O)C3=CC=CC=C32)C4=CC(=CC=C4)Cl)CN5CCN(CC5)CCC6=CC=CC=C6

InChI

InChI=1S/C38H39ClN4O2/c1-2-34(29-14-7-4-8-15-29)40-37(44)36-32-18-9-10-19-33(32)38(45)43(31-17-11-16-30(39)26-31)35(36)27-42-24-22-41(23-25-42)21-20-28-12-5-3-6-13-28/h3-19,26,34H,2,20-25,27H2,1H3,(H,40,44)/t34-/m0/s1