ethyl 5-methyl-1-(4-methylphenyl)-4-oxidanylidene-1,2-dihydropyridazino[4,5-b]indole-3-carboxylate

Systemtic Name: ethyl 5-methyl-1-(4-methylphenyl)-4-oxidanylidene-1,2-dihydropyridazino[4,5-b]indole-3-carboxylate Openeye Name: ethyl 5-methyl-4-oxo-1-(p-tolyl)-1,2-dihydropyridazino[4,5-b]indole-3-carboxylate CAS Name: 5-methyl-1-(4-methylphenyl)-4-oxo-1,2-dihydropyridazino[4,5-b]indole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 5-methyl-1-(4-methylphenyl)-4-oxo-1,2-dihydropyridazino[4,5-b]indole-3-carboxylate Traditional Name: 4-keto-5-methyl-1-(p-tolyl)-1,2-dihydropyridazin[4,5-b]indole-3-carboxylic acid ethyl ester Formula: C21H21N3O3 MolecularWeight: 363.40974

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1C(=O)C2=C(C(N1)C3=CC=C(C=C3)C)C4=CC=CC=C4N2C

Isomeric SMILES

CCOC(=O)N1C(=O)C2=C(C(N1)C3=CC=C(C=C3)C)C4=CC=CC=C4N2C

InChI

InChI=1S/C21H21N3O3/c1-4-27-21(26)24-20(25)19-17(15-7-5-6-8-16(15)23(19)3)18(22-24)14-11-9-13(2)10-12-14/h5-12,18,22H,4H2,1-3H3