methyl 2-[[4-(diethylamino)phenyl]carbonylamino]-1-oxidanylidene-isoquinoline-4-carboxylate

Systemtic Name: methyl 2-[[4-(diethylamino)phenyl]carbonylamino]-1-oxidanylidene-isoquinoline-4-carboxylate Openeye Name: methyl 2-[[4-(diethylamino)benzoyl]amino]-1-oxo-isoquinoline-4-carboxylate CAS Name: 2-[[[4-(diethylamino)phenyl]-oxomethyl]amino]-1-oxo-4-isoquinolinecarboxylic acid methyl ester IUPAC Name: methyl 2-[[4-(diethylamino)benzoyl]amino]-1-oxoisoquinoline-4-carboxylate Traditional Name: 2-[[4-(diethylamino)benzoyl]amino]-1-keto-isoquinoline-4-carboxylic acid methyl ester Formula: C22H23N3O4 MolecularWeight: 393.43572

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=CC=C(C=C1)C(=O)NN2C=C(C3=CC=CC=C3C2=O)C(=O)OC

Isomeric SMILES

CCN(CC)C1=CC=C(C=C1)C(=O)NN2C=C(C3=CC=CC=C3C2=O)C(=O)OC

InChI

InChI=1S/C22H23N3O4/c1-4-24(5-2)16-12-10-15(11-13-16)20(26)23-25-14-19(22(28)29-3)17-8-6-7-9-18(17)21(25)27/h6-14H,4-5H2,1-3H3,(H,23,26)