methyl 2-[(2-cyclopentyl-2-phenyl-ethanoyl)amino]-1-oxidanylidene-isoquinoline-4-carboxylate

Systemtic Name: methyl 2-[(2-cyclopentyl-2-phenyl-ethanoyl)amino]-1-oxidanylidene-isoquinoline-4-carboxylate Openeye Name: methyl 2-[(2-cyclopentyl-2-phenyl-acetyl)amino]-1-oxo-isoquinoline-4-carboxylate CAS Name: 2-[(2-cyclopentyl-1-oxo-2-phenylethyl)amino]-1-oxo-4-isoquinolinecarboxylic acid methyl ester IUPAC Name: methyl 2-[(2-cyclopentyl-2-phenylacetyl)amino]-1-oxoisoquinoline-4-carboxylate Traditional Name: 2-[(2-cyclopentyl-2-phenyl-acetyl)amino]-1-keto-isoquinoline-4-carboxylic acid methyl ester Formula: C24H24N2O4 MolecularWeight: 404.45836

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CN(C(=O)C2=CC=CC=C21)NC(=O)C(C3CCCC3)C4=CC=CC=C4

Isomeric SMILES

COC(=O)C1=CN(C(=O)C2=CC=CC=C21)NC(=O)C(C3CCCC3)C4=CC=CC=C4

InChI

InChI=1S/C24H24N2O4/c1-30-24(29)20-15-26(23(28)19-14-8-7-13-18(19)20)25-22(27)21(17-11-5-6-12-17)16-9-3-2-4-10-16/h2-4,7-10,13-15,17,21H,5-6,11-12H2,1H3,(H,25,27)