[1-oxidanylidene-1-(pyridin-2-ylamino)butan-2-yl] 2-methyl-1-oxidanylidene-4-phenyl-isoquinoline-3-carboxylate

Systemtic Name: [1-oxidanylidene-1-(pyridin-2-ylamino)butan-2-yl] 2-methyl-1-oxidanylidene-4-phenyl-isoquinoline-3-carboxylate Openeye Name: 1-(2-pyridylcarbamoyl)propyl 2-methyl-1-oxo-4-phenyl-isoquinoline-3-carboxylate CAS Name: 2-methyl-1-oxo-4-phenyl-3-isoquinolinecarboxylic acid [1-oxo-1-(2-pyridinylamino)butan-2-yl] ester IUPAC Name: [1-oxo-1-(pyridin-2-ylamino)butan-2-yl] 2-methyl-1-oxo-4-phenylisoquinoline-3-carboxylate Traditional Name: 1-keto-2-methyl-4-phenyl-isoquinoline-3-carboxylic acid 1-(2-pyridylcarbamoyl)propyl ester Formula: C26H23N3O4 MolecularWeight: 441.47852

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC=CC=N1)OC(=O)C2=C(C3=CC=CC=C3C(=O)N2C)C4=CC=CC=C4

Isomeric SMILES

CCC(C(=O)NC1=CC=CC=N1)OC(=O)C2=C(C3=CC=CC=C3C(=O)N2C)C4=CC=CC=C4

InChI

InChI=1S/C26H23N3O4/c1-3-20(24(30)28-21-15-9-10-16-27-21)33-26(32)23-22(17-11-5-4-6-12-17)18-13-7-8-14-19(18)25(31)29(23)2/h4-16,20H,3H2,1-2H3,(H,27,28,30)