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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC(=O)C1=CN=C(C2=CC=CC=C21)N3CCN(CC3)C4=CC=CC=N4

Isomeric SMILES

CCC(C)NC(=O)C1=CN=C(C2=CC=CC=C21)N3CCN(CC3)C4=CC=CC=N4

InChI

InChI=1S/C23H27N5O/c1-3-17(2)26-23(29)20-16-25-22(19-9-5-4-8-18(19)20)28-14-12-27(13-15-28)21-10-6-7-11-24-21/h4-11,16-17H,3,12-15H2,1-2H3,(H,26,29)