N-(2,5-dimethoxyphenyl)-1-[4-(2-methoxyphenyl)piperazin-1-yl]isoquinoline-4-carboxamide

Systemtic Name: N-(2,5-dimethoxyphenyl)-1-[4-(2-methoxyphenyl)piperazin-1-yl]isoquinoline-4-carboxamide Openeye Name: N-(2,5-dimethoxyphenyl)-1-[4-(2-methoxyphenyl)piperazin-1-yl]isoquinoline-4-carboxamide CAS Name: N-(2,5-dimethoxyphenyl)-1-[4-(2-methoxyphenyl)-1-piperazinyl]-4-isoquinolinecarboxamide IUPAC Name: N-(2,5-dimethoxyphenyl)-1-[4-(2-methoxyphenyl)piperazin-1-yl]isoquinoline-4-carboxamide Traditional Name: N-(2,5-dimethoxyphenyl)-1-[4-(2-methoxyphenyl)piperazino]isoquinoline-4-carboxamide Formula: C29H30N4O4 MolecularWeight: 498.5729

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)NC(=O)C2=CN=C(C3=CC=CC=C32)N4CCN(CC4)C5=CC=CC=C5OC

Isomeric SMILES

COC1=CC(=C(C=C1)OC)NC(=O)C2=CN=C(C3=CC=CC=C32)N4CCN(CC4)C5=CC=CC=C5OC

InChI

InChI=1S/C29H30N4O4/c1-35-20-12-13-26(36-2)24(18-20)31-29(34)23-19-30-28(22-9-5-4-8-21(22)23)33-16-14-32(15-17-33)25-10-6-7-11-27(25)37-3/h4-13,18-19H,14-17H2,1-3H3,(H,31,34)