methyl 2-[[5-methyl-3-(4-methylphenyl)-4-oxidanylidene-pyridazino[4,5-b]indol-1-yl]carbonylamino]benzoate

Systemtic Name: methyl 2-[[5-methyl-3-(4-methylphenyl)-4-oxidanylidene-pyridazino[4,5-b]indol-1-yl]carbonylamino]benzoate Openeye Name: methyl 2-[[5-methyl-4-oxo-3-(p-tolyl)pyridazino[4,5-b]indole-1-carbonyl]amino]benzoate CAS Name: 2-[[[5-methyl-3-(4-methylphenyl)-4-oxo-1-pyridazino[4,5-b]indolyl]-oxomethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[[5-methyl-3-(4-methylphenyl)-4-oxopyridazino[4,5-b]indole-1-carbonyl]amino]benzoate Traditional Name: 2-[[4-keto-5-methyl-3-(p-tolyl)pyridazin[4,5-b]indole-1-carbonyl]amino]benzoic acid methyl ester Formula: C27H22N4O4 MolecularWeight: 466.48798

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=O)C3=C(C4=CC=CC=C4N3C)C(=N2)C(=O)NC5=CC=CC=C5C(=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=O)C3=C(C4=CC=CC=C4N3C)C(=N2)C(=O)NC5=CC=CC=C5C(=O)OC

InChI

InChI=1S/C27H22N4O4/c1-16-12-14-17(15-13-16)31-26(33)24-22(19-9-5-7-11-21(19)30(24)2)23(29-31)25(32)28-20-10-6-4-8-18(20)27(34)35-3/h4-15H,1-3H3,(H,28,32)