1-(4-pyridin-2-ylpiperazin-1-yl)-N-(3,4,5-trimethoxyphenyl)isoquinoline-4-carboxamide

Systemtic Name: 1-(4-pyridin-2-ylpiperazin-1-yl)-N-(3,4,5-trimethoxyphenyl)isoquinoline-4-carboxamide Openeye Name: 1-[4-(2-pyridyl)piperazin-1-yl]-N-(3,4,5-trimethoxyphenyl)isoquinoline-4-carboxamide CAS Name: 1-[4-(2-pyridinyl)-1-piperazinyl]-N-(3,4,5-trimethoxyphenyl)-4-isoquinolinecarboxamide IUPAC Name: 1-(4-pyridin-2-ylpiperazin-1-yl)-N-(3,4,5-trimethoxyphenyl)isoquinoline-4-carboxamide Traditional Name: 1-[4-(2-pyridyl)piperazino]-N-(3,4,5-trimethoxyphenyl)isoquinoline-4-carboxamide Formula: C28H29N5O4 MolecularWeight: 499.56096

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)NC(=O)C2=CN=C(C3=CC=CC=C32)N4CCN(CC4)C5=CC=CC=N5

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)NC(=O)C2=CN=C(C3=CC=CC=C32)N4CCN(CC4)C5=CC=CC=N5

InChI

InChI=1S/C28H29N5O4/c1-35-23-16-19(17-24(36-2)26(23)37-3)31-28(34)22-18-30-27(21-9-5-4-8-20(21)22)33-14-12-32(13-15-33)25-10-6-7-11-29-25/h4-11,16-18H,12-15H2,1-3H3,(H,31,34)