2-(2-methoxyphenyl)-1-oxidanylidene-N-[2-oxidanylidene-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]isoquinoline-4-carboxamide

Systemtic Name: 2-(2-methoxyphenyl)-1-oxidanylidene-N-[2-oxidanylidene-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]isoquinoline-4-carboxamide Openeye Name: 2-(2-methoxyphenyl)-1-oxo-N-[2-oxo-2-[4-(2-pyridyl)piperazin-1-yl]ethyl]isoquinoline-4-carboxamide CAS Name: 2-(2-methoxyphenyl)-1-oxo-N-[2-oxo-2-[4-(2-pyridinyl)-1-piperazinyl]ethyl]-4-isoquinolinecarboxamide IUPAC Name: 2-(2-methoxyphenyl)-1-oxo-N-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]isoquinoline-4-carboxamide Traditional Name: 1-keto-N-[2-keto-2-[4-(2-pyridyl)piperazino]ethyl]-2-(2-methoxyphenyl)isoquinoline-4-carboxamide Formula: C28H27N5O4 MolecularWeight: 497.54508

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N2C=C(C3=CC=CC=C3C2=O)C(=O)NCC(=O)N4CCN(CC4)C5=CC=CC=N5

Isomeric SMILES

COC1=CC=CC=C1N2C=C(C3=CC=CC=C3C2=O)C(=O)NCC(=O)N4CCN(CC4)C5=CC=CC=N5

InChI

InChI=1S/C28H27N5O4/c1-37-24-11-5-4-10-23(24)33-19-22(20-8-2-3-9-21(20)28(33)36)27(35)30-18-26(34)32-16-14-31(15-17-32)25-12-6-7-13-29-25/h2-13,19H,14-18H2,1H3,(H,30,35)