[4-[(3-methylphenyl)amino]-4-oxidanylidene-butyl] 3-methyl-4-oxidanylidene-phthalazine-1-carboxylate

Systemtic Name: [4-[(3-methylphenyl)amino]-4-oxidanylidene-butyl] 3-methyl-4-oxidanylidene-phthalazine-1-carboxylate Openeye Name: [4-(3-methylanilino)-4-oxo-butyl] 3-methyl-4-oxo-phthalazine-1-carboxylate CAS Name: 3-methyl-4-oxo-1-phthalazinecarboxylic acid [4-(3-methylanilino)-4-oxobutyl] ester IUPAC Name: [4-(3-methylanilino)-4-oxobutyl] 3-methyl-4-oxophthalazine-1-carboxylate Traditional Name: 4-keto-3-methyl-phthalazine-1-carboxylic acid [4-keto-4-(m-toluidino)butyl] ester Formula: C21H21N3O4 MolecularWeight: 379.40914

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=O)CCCOC(=O)C2=NN(C(=O)C3=CC=CC=C32)C

Isomeric SMILES

CC1=CC(=CC=C1)NC(=O)CCCOC(=O)C2=NN(C(=O)C3=CC=CC=C32)C

InChI

InChI=1S/C21H21N3O4/c1-14-7-5-8-15(13-14)22-18(25)11-6-12-28-21(27)19-16-9-3-4-10-17(16)20(26)24(2)23-19/h3-5,7-10,13H,6,11-12H2,1-2H3,(H,22,25)