N-(3-chlorophenyl)-1-(4-pyridin-2-ylpiperazin-1-yl)isoquinoline-4-carboxamide

Systemtic Name: N-(3-chlorophenyl)-1-(4-pyridin-2-ylpiperazin-1-yl)isoquinoline-4-carboxamide Openeye Name: N-(3-chlorophenyl)-1-[4-(2-pyridyl)piperazin-1-yl]isoquinoline-4-carboxamide CAS Name: N-(3-chlorophenyl)-1-[4-(2-pyridinyl)-1-piperazinyl]-4-isoquinolinecarboxamide IUPAC Name: N-(3-chlorophenyl)-1-(4-pyridin-2-ylpiperazin-1-yl)isoquinoline-4-carboxamide Traditional Name: N-(3-chlorophenyl)-1-[4-(2-pyridyl)piperazino]isoquinoline-4-carboxamide Formula: C25H22ClN5O MolecularWeight: 443.92808

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=N2)C3=NC=C(C4=CC=CC=C43)C(=O)NC5=CC(=CC=C5)Cl

Isomeric SMILES

C1CN(CCN1C2=CC=CC=N2)C3=NC=C(C4=CC=CC=C43)C(=O)NC5=CC(=CC=C5)Cl

InChI

InChI=1S/C25H22ClN5O/c26-18-6-5-7-19(16-18)29-25(32)22-17-28-24(21-9-2-1-8-20(21)22)31-14-12-30(13-15-31)23-10-3-4-11-27-23/h1-11,16-17H,12-15H2,(H,29,32)