ethanedioic acid; N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]isoquinoline-3-carboxamide

Systemtic Name: ethanedioic acid; N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]isoquinoline-3-carboxamide Openeye Name: N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]isoquinoline-3-carboxamide; oxalic acid CAS Name: N-[4-[4-(2-methoxyphenyl)-1-piperazinyl]butyl]-3-isoquinolinecarboxamide; oxalic acid IUPAC Name: N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]isoquinoline-3-carboxamide; oxalic acid Traditional Name: N-[4-[4-(2-methoxyphenyl)piperazino]butyl]isoquinoline-3-carboxamide; oxalic acid Formula: C27H32N4O6 MolecularWeight: 508.56618

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N2CCN(CC2)CCCCNC(=O)C3=CC4=CC=CC=C4C=N3.C(=O)(C(=O)O)O

Isomeric SMILES

COC1=CC=CC=C1N2CCN(CC2)CCCCNC(=O)C3=CC4=CC=CC=C4C=N3.C(=O)(C(=O)O)O

InChI

InChI=1S/C25H30N4O2.C2H2O4/c1-31-24-11-5-4-10-23(24)29-16-14-28(15-17-29)13-7-6-12-26-25(30)22-18-20-8-2-3-9-21(20)19-27-22;3-1(4)2(5)6/h2-5,8-11,18-19H,6-7,12-17H2,1H3,(H,26,30);(H,3,4)(H,5,6)