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

Systemtic Name: 1-[(2-methoxyphenyl)amino]-N-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]isoquinoline-4-carboxamide Openeye Name: 1-(2-methoxyanilino)-N-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]isoquinoline-4-carboxamide CAS Name: 1-(2-methoxyanilino)-N-[3-[4-(4-methoxyphenyl)-1-piperazinyl]propyl]-4-isoquinolinecarboxamide IUPAC Name: 1-(2-methoxyanilino)-N-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]isoquinoline-4-carboxamide Traditional Name: N-[3-[4-(4-methoxyphenyl)piperazino]propyl]-1-(o-anisidino)isoquinoline-4-carboxamide Formula: C31H35N5O3 MolecularWeight: 525.6413

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2CCN(CC2)CCCNC(=O)C3=CN=C(C4=CC=CC=C43)NC5=CC=CC=C5OC

Isomeric SMILES

COC1=CC=C(C=C1)N2CCN(CC2)CCCNC(=O)C3=CN=C(C4=CC=CC=C43)NC5=CC=CC=C5OC

InChI

InChI=1S/C31H35N5O3/c1-38-24-14-12-23(13-15-24)36-20-18-35(19-21-36)17-7-16-32-31(37)27-22-33-30(26-9-4-3-8-25(26)27)34-28-10-5-6-11-29(28)39-2/h3-6,8-15,22H,7,16-21H2,1-2H3,(H,32,37)(H,33,34)