N-(3-chlorophenyl)-1-[4-(2-methoxyphenyl)piperazin-1-yl]-N-propyl-isoquinoline-4-carboxamide

Systemtic Name: N-(3-chlorophenyl)-1-[4-(2-methoxyphenyl)piperazin-1-yl]-N-propyl-isoquinoline-4-carboxamide Openeye Name: N-(3-chlorophenyl)-1-[4-(2-methoxyphenyl)piperazin-1-yl]-N-propyl-isoquinoline-4-carboxamide CAS Name: N-(3-chlorophenyl)-1-[4-(2-methoxyphenyl)-1-piperazinyl]-N-propyl-4-isoquinolinecarboxamide IUPAC Name: N-(3-chlorophenyl)-1-[4-(2-methoxyphenyl)piperazin-1-yl]-N-propylisoquinoline-4-carboxamide Traditional Name: N-(3-chlorophenyl)-1-[4-(2-methoxyphenyl)piperazino]-N-propyl-isoquinoline-4-carboxamide Formula: C30H31ClN4O2 MolecularWeight: 515.04574

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(C1=CC(=CC=C1)Cl)C(=O)C2=CN=C(C3=CC=CC=C32)N4CCN(CC4)C5=CC=CC=C5OC

Isomeric SMILES

CCCN(C1=CC(=CC=C1)Cl)C(=O)C2=CN=C(C3=CC=CC=C32)N4CCN(CC4)C5=CC=CC=C5OC

InChI

InChI=1S/C30H31ClN4O2/c1-3-15-35(23-10-8-9-22(31)20-23)30(36)26-21-32-29(25-12-5-4-11-24(25)26)34-18-16-33(17-19-34)27-13-6-7-14-28(27)37-2/h4-14,20-21H,3,15-19H2,1-2H3