1-[(2-methoxyphenyl)amino]-N-[3-(4-methylpiperazin-1-yl)propyl]isoquinoline-4-carboxamide

Systemtic Name: 1-[(2-methoxyphenyl)amino]-N-[3-(4-methylpiperazin-1-yl)propyl]isoquinoline-4-carboxamide Openeye Name: 1-(2-methoxyanilino)-N-[3-(4-methylpiperazin-1-yl)propyl]isoquinoline-4-carboxamide CAS Name: 1-(2-methoxyanilino)-N-[3-(4-methyl-1-piperazinyl)propyl]-4-isoquinolinecarboxamide IUPAC Name: 1-(2-methoxyanilino)-N-[3-(4-methylpiperazin-1-yl)propyl]isoquinoline-4-carboxamide Traditional Name: N-[3-(4-methylpiperazino)propyl]-1-(o-anisidino)isoquinoline-4-carboxamide Formula: C25H31N5O2 MolecularWeight: 433.54594

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)CCCNC(=O)C2=CN=C(C3=CC=CC=C32)NC4=CC=CC=C4OC

Isomeric SMILES

CN1CCN(CC1)CCCNC(=O)C2=CN=C(C3=CC=CC=C32)NC4=CC=CC=C4OC

InChI

InChI=1S/C25H31N5O2/c1-29-14-16-30(17-15-29)13-7-12-26-25(31)21-18-27-24(20-9-4-3-8-19(20)21)28-22-10-5-6-11-23(22)32-2/h3-6,8-11,18H,7,12-17H2,1-2H3,(H,26,31)(H,27,28)