N-(5-methyl-1,2-oxazol-3-yl)-1-(4-pyridin-2-ylpiperazin-1-yl)isoquinoline-4-carboxamide

Systemtic Name: N-(5-methyl-1,2-oxazol-3-yl)-1-(4-pyridin-2-ylpiperazin-1-yl)isoquinoline-4-carboxamide Openeye Name: N-(5-methylisoxazol-3-yl)-1-[4-(2-pyridyl)piperazin-1-yl]isoquinoline-4-carboxamide CAS Name: N-(5-methyl-3-isoxazolyl)-1-[4-(2-pyridinyl)-1-piperazinyl]-4-isoquinolinecarboxamide IUPAC Name: N-(5-methyl-1,2-oxazol-3-yl)-1-(4-pyridin-2-ylpiperazin-1-yl)isoquinoline-4-carboxamide Traditional Name: N-(5-methylisoxazol-3-yl)-1-[4-(2-pyridyl)piperazino]isoquinoline-4-carboxamide Formula: C23H22N6O2 MolecularWeight: 414.45978

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NO1)NC(=O)C2=CN=C(C3=CC=CC=C32)N4CCN(CC4)C5=CC=CC=N5

Isomeric SMILES

CC1=CC(=NO1)NC(=O)C2=CN=C(C3=CC=CC=C32)N4CCN(CC4)C5=CC=CC=N5

InChI

InChI=1S/C23H22N6O2/c1-16-14-20(27-31-16)26-23(30)19-15-25-22(18-7-3-2-6-17(18)19)29-12-10-28(11-13-29)21-8-4-5-9-24-21/h2-9,14-15H,10-13H2,1H3,(H,26,27,30)