3-(4-methoxyphenyl)-2-methyl-N-[3-(4-methylpiperazin-1-yl)propyl]-1-oxidanylidene-3,4-dihydroisoquinoline-4-carboxamide

Systemtic Name: 3-(4-methoxyphenyl)-2-methyl-N-[3-(4-methylpiperazin-1-yl)propyl]-1-oxidanylidene-3,4-dihydroisoquinoline-4-carboxamide Openeye Name: 3-(4-methoxyphenyl)-2-methyl-N-[3-(4-methylpiperazin-1-yl)propyl]-1-oxo-3,4-dihydroisoquinoline-4-carboxamide CAS Name: 3-(4-methoxyphenyl)-2-methyl-N-[3-(4-methyl-1-piperazinyl)propyl]-1-oxo-3,4-dihydroisoquinoline-4-carboxamide IUPAC Name: 3-(4-methoxyphenyl)-2-methyl-N-[3-(4-methylpiperazin-1-yl)propyl]-1-oxo-3,4-dihydroisoquinoline-4-carboxamide Traditional Name: 1-keto-3-(4-methoxyphenyl)-2-methyl-N-[3-(4-methylpiperazino)propyl]-3,4-dihydroisoquinoline-4-carboxamide Formula: C26H34N4O3 MolecularWeight: 450.57316

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)CCCNC(=O)C2C(N(C(=O)C3=CC=CC=C23)C)C4=CC=C(C=C4)OC

Isomeric SMILES

CN1CCN(CC1)CCCNC(=O)C2C(N(C(=O)C3=CC=CC=C23)C)C4=CC=C(C=C4)OC

InChI

InChI=1S/C26H34N4O3/c1-28-15-17-30(18-16-28)14-6-13-27-25(31)23-21-7-4-5-8-22(21)26(32)29(2)24(23)19-9-11-20(33-3)12-10-19/h4-5,7-12,23-24H,6,13-18H2,1-3H3,(H,27,31)