N-(5-chloranyl-2,4-dimethoxy-phenyl)-1-(4-pyridin-2-ylpiperazin-1-yl)isoquinoline-4-carboxamide

Systemtic Name: N-(5-chloranyl-2,4-dimethoxy-phenyl)-1-(4-pyridin-2-ylpiperazin-1-yl)isoquinoline-4-carboxamide Openeye Name: N-(5-chloro-2,4-dimethoxy-phenyl)-1-[4-(2-pyridyl)piperazin-1-yl]isoquinoline-4-carboxamide CAS Name: N-(5-chloro-2,4-dimethoxyphenyl)-1-[4-(2-pyridinyl)-1-piperazinyl]-4-isoquinolinecarboxamide IUPAC Name: N-(5-chloro-2,4-dimethoxyphenyl)-1-(4-pyridin-2-ylpiperazin-1-yl)isoquinoline-4-carboxamide Traditional Name: N-(5-chloro-2,4-dimethoxy-phenyl)-1-[4-(2-pyridyl)piperazino]isoquinoline-4-carboxamide Formula: C27H26ClN5O3 MolecularWeight: 503.98004

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1NC(=O)C2=CN=C(C3=CC=CC=C32)N4CCN(CC4)C5=CC=CC=N5)Cl)OC

Isomeric SMILES

COC1=CC(=C(C=C1NC(=O)C2=CN=C(C3=CC=CC=C32)N4CCN(CC4)C5=CC=CC=N5)Cl)OC

InChI

InChI=1S/C27H26ClN5O3/c1-35-23-16-24(36-2)22(15-21(23)28)31-27(34)20-17-30-26(19-8-4-3-7-18(19)20)33-13-11-32(12-14-33)25-9-5-6-10-29-25/h3-10,15-17H,11-14H2,1-2H3,(H,31,34)