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

Systemtic Name: N-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-2-(4-methoxyphenyl)-1-oxidanylidene-isoquinoline-4-carboxamide Openeye Name: N-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-2-(4-methoxyphenyl)-1-oxo-isoquinoline-4-carboxamide CAS Name: N-[3-[4-(3-chlorophenyl)-1-piperazinyl]propyl]-2-(4-methoxyphenyl)-1-oxo-4-isoquinolinecarboxamide IUPAC Name: N-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-2-(4-methoxyphenyl)-1-oxoisoquinoline-4-carboxamide Traditional Name: N-[3-[4-(3-chlorophenyl)piperazino]propyl]-1-keto-2-(4-methoxyphenyl)isoquinoline-4-carboxamide Formula: C30H31ClN4O3 MolecularWeight: 531.04514

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2C=C(C3=CC=CC=C3C2=O)C(=O)NCCCN4CCN(CC4)C5=CC(=CC=C5)Cl

Isomeric SMILES

COC1=CC=C(C=C1)N2C=C(C3=CC=CC=C3C2=O)C(=O)NCCCN4CCN(CC4)C5=CC(=CC=C5)Cl

InChI

InChI=1S/C30H31ClN4O3/c1-38-25-12-10-23(11-13-25)35-21-28(26-8-2-3-9-27(26)30(35)37)29(36)32-14-5-15-33-16-18-34(19-17-33)24-7-4-6-22(31)20-24/h2-4,6-13,20-21H,5,14-19H2,1H3,(H,32,36)