ethyl 4-[5-methyl-3-(4-methylphenyl)-4-oxidanylidene-pyridazino[4,5-b]indol-1-yl]carbonylpiperazine-1-carboxylate

Systemtic Name: ethyl 4-[5-methyl-3-(4-methylphenyl)-4-oxidanylidene-pyridazino[4,5-b]indol-1-yl]carbonylpiperazine-1-carboxylate Openeye Name: ethyl 4-[5-methyl-4-oxo-3-(p-tolyl)pyridazino[4,5-b]indole-1-carbonyl]piperazine-1-carboxylate CAS Name: 4-[[5-methyl-3-(4-methylphenyl)-4-oxo-1-pyridazino[4,5-b]indolyl]-oxomethyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[5-methyl-3-(4-methylphenyl)-4-oxopyridazino[4,5-b]indole-1-carbonyl]piperazine-1-carboxylate Traditional Name: 4-[4-keto-5-methyl-3-(p-tolyl)pyridazin[4,5-b]indole-1-carbonyl]piperazine-1-carboxylic acid ethyl ester Formula: C26H27N5O4 MolecularWeight: 473.52368

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C(=O)C2=NN(C(=O)C3=C2C4=CC=CC=C4N3C)C5=CC=C(C=C5)C

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(=O)C2=NN(C(=O)C3=C2C4=CC=CC=C4N3C)C5=CC=C(C=C5)C

InChI

InChI=1S/C26H27N5O4/c1-4-35-26(34)30-15-13-29(14-16-30)24(32)22-21-19-7-5-6-8-20(19)28(3)23(21)25(33)31(27-22)18-11-9-17(2)10-12-18/h5-12H,4,13-16H2,1-3H3