ethyl 4-(4-isoquinolin-1-ylcarbonylpiperazin-1-yl)-1-methyl-2-oxidanylidene-quinoline-3-carboxylate

Systemtic Name: ethyl 4-(4-isoquinolin-1-ylcarbonylpiperazin-1-yl)-1-methyl-2-oxidanylidene-quinoline-3-carboxylate Openeye Name: ethyl 4-[4-(isoquinoline-1-carbonyl)piperazin-1-yl]-1-methyl-2-oxo-quinoline-3-carboxylate CAS Name: 4-[4-[1-isoquinolinyl(oxo)methyl]-1-piperazinyl]-1-methyl-2-oxo-3-quinolinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[4-(isoquinoline-1-carbonyl)piperazin-1-yl]-1-methyl-2-oxoquinoline-3-carboxylate Traditional Name: 4-[4-(isoquinoline-1-carbonyl)piperazino]-2-keto-1-methyl-quinoline-3-carboxylic acid ethyl ester Formula: C27H26N4O4 MolecularWeight: 470.51974

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=CC=CC=C2N(C1=O)C)N3CCN(CC3)C(=O)C4=NC=CC5=CC=CC=C54

Isomeric SMILES

CCOC(=O)C1=C(C2=CC=CC=C2N(C1=O)C)N3CCN(CC3)C(=O)C4=NC=CC5=CC=CC=C54

InChI

InChI=1S/C27H26N4O4/c1-3-35-27(34)22-24(20-10-6-7-11-21(20)29(2)25(22)32)30-14-16-31(17-15-30)26(33)23-19-9-5-4-8-18(19)12-13-28-23/h4-13H,3,14-17H2,1-2H3