2-(4-methoxyphenyl)-4-(4-pyridin-2-ylpiperazin-1-yl)carbonyl-isoquinolin-1-one

Systemtic Name: 2-(4-methoxyphenyl)-4-(4-pyridin-2-ylpiperazin-1-yl)carbonyl-isoquinolin-1-one Openeye Name: 2-(4-methoxyphenyl)-4-[4-(2-pyridyl)piperazine-1-carbonyl]isoquinolin-1-one CAS Name: 2-(4-methoxyphenyl)-4-[oxo-[4-(2-pyridinyl)-1-piperazinyl]methyl]-1-isoquinolinone IUPAC Name: 2-(4-methoxyphenyl)-4-(4-pyridin-2-ylpiperazine-1-carbonyl)isoquinolin-1-one Traditional Name: 2-(4-methoxyphenyl)-4-[4-(2-pyridyl)piperazine-1-carbonyl]isocarbostyril Formula: C26H24N4O3 MolecularWeight: 440.49376

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2C=C(C3=CC=CC=C3C2=O)C(=O)N4CCN(CC4)C5=CC=CC=N5

Isomeric SMILES

COC1=CC=C(C=C1)N2C=C(C3=CC=CC=C3C2=O)C(=O)N4CCN(CC4)C5=CC=CC=N5

InChI

InChI=1S/C26H24N4O3/c1-33-20-11-9-19(10-12-20)30-18-23(21-6-2-3-7-22(21)26(30)32)25(31)29-16-14-28(15-17-29)24-8-4-5-13-27-24/h2-13,18H,14-17H2,1H3