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

Systemtic Name: N-(5-chloranyl-2,4-dimethoxy-phenyl)-1-[4-(2-methoxyphenyl)piperazin-1-yl]isoquinoline-4-carboxamide Openeye Name: N-(5-chloro-2,4-dimethoxy-phenyl)-1-[4-(2-methoxyphenyl)piperazin-1-yl]isoquinoline-4-carboxamide CAS Name: N-(5-chloro-2,4-dimethoxyphenyl)-1-[4-(2-methoxyphenyl)-1-piperazinyl]-4-isoquinolinecarboxamide IUPAC Name: N-(5-chloro-2,4-dimethoxyphenyl)-1-[4-(2-methoxyphenyl)piperazin-1-yl]isoquinoline-4-carboxamide Traditional Name: N-(5-chloro-2,4-dimethoxy-phenyl)-1-[4-(2-methoxyphenyl)piperazino]isoquinoline-4-carboxamide Formula: C29H29ClN4O4 MolecularWeight: 533.01796

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N2CCN(CC2)C3=NC=C(C4=CC=CC=C43)C(=O)NC5=CC(=C(C=C5OC)OC)Cl

Isomeric SMILES

COC1=CC=CC=C1N2CCN(CC2)C3=NC=C(C4=CC=CC=C43)C(=O)NC5=CC(=C(C=C5OC)OC)Cl

InChI

InChI=1S/C29H29ClN4O4/c1-36-25-11-7-6-10-24(25)33-12-14-34(15-13-33)28-20-9-5-4-8-19(20)21(18-31-28)29(35)32-23-16-22(30)26(37-2)17-27(23)38-3/h4-11,16-18H,12-15H2,1-3H3,(H,32,35)