N-(6-methylpyridin-2-yl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)isoquinoline-4-carboxamide

Systemtic Name: N-(6-methylpyridin-2-yl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)isoquinoline-4-carboxamide Openeye Name: N-(6-methyl-2-pyridyl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)isoquinoline-4-carboxamide CAS Name: N-(6-methyl-2-pyridinyl)-1-[4-(2-pyrimidinyl)-1-piperazinyl]-4-isoquinolinecarboxamide IUPAC Name: N-(6-methylpyridin-2-yl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)isoquinoline-4-carboxamide Traditional Name: N-(6-methyl-2-pyridyl)-1-[4-(2-pyrimidyl)piperazino]isoquinoline-4-carboxamide Formula: C24H23N7O MolecularWeight: 425.48572

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CC=C1)NC(=O)C2=CN=C(C3=CC=CC=C32)N4CCN(CC4)C5=NC=CC=N5

Isomeric SMILES

CC1=NC(=CC=C1)NC(=O)C2=CN=C(C3=CC=CC=C32)N4CCN(CC4)C5=NC=CC=N5

InChI

InChI=1S/C24H23N7O/c1-17-6-4-9-21(28-17)29-23(32)20-16-27-22(19-8-3-2-7-18(19)20)30-12-14-31(15-13-30)24-25-10-5-11-26-24/h2-11,16H,12-15H2,1H3,(H,28,29,32)