N-[4-(4-pyridin-2-ylpiperazin-1-yl)butyl]isoquinoline-3-carboxamide

Systemtic Name: N-[4-(4-pyridin-2-ylpiperazin-1-yl)butyl]isoquinoline-3-carboxamide Openeye Name: N-[4-[4-(2-pyridyl)piperazin-1-yl]butyl]isoquinoline-3-carboxamide CAS Name: N-[4-[4-(2-pyridinyl)-1-piperazinyl]butyl]-3-isoquinolinecarboxamide IUPAC Name: N-[4-(4-pyridin-2-ylpiperazin-1-yl)butyl]isoquinoline-3-carboxamide Traditional Name: N-[4-[4-(2-pyridyl)piperazino]butyl]isoquinoline-3-carboxamide Formula: C23H27N5O MolecularWeight: 389.49338

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCCCNC(=O)C2=CC3=CC=CC=C3C=N2)C4=CC=CC=N4

Isomeric SMILES

C1CN(CCN1CCCCNC(=O)C2=CC3=CC=CC=C3C=N2)C4=CC=CC=N4

InChI

InChI=1S/C23H27N5O/c29-23(21-17-19-7-1-2-8-20(19)18-26-21)25-11-5-6-12-27-13-15-28(16-14-27)22-9-3-4-10-24-22/h1-4,7-10,17-18H,5-6,11-16H2,(H,25,29)