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

Systemtic Name: 2-diethylaminoethyl 4-[[5-methyl-3-(4-methylphenyl)-4-oxidanylidene-pyridazino[4,5-b]indol-1-yl]carbonylamino]benzoate Openeye Name: 2-diethylaminoethyl 4-[[5-methyl-4-oxo-3-(p-tolyl)pyridazino[4,5-b]indole-1-carbonyl]amino]benzoate CAS Name: 4-[[[5-methyl-3-(4-methylphenyl)-4-oxo-1-pyridazino[4,5-b]indolyl]-oxomethyl]amino]benzoic acid 2-diethylaminoethyl ester IUPAC Name: 2-diethylaminoethyl 4-[[5-methyl-3-(4-methylphenyl)-4-oxopyridazino[4,5-b]indole-1-carbonyl]amino]benzoate Traditional Name: 4-[[4-keto-5-methyl-3-(p-tolyl)pyridazin[4,5-b]indole-1-carbonyl]amino]benzoic acid 2-diethylaminoethyl ester Formula: C32H33N5O4 MolecularWeight: 551.63552

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCOC(=O)C1=CC=C(C=C1)NC(=O)C2=NN(C(=O)C3=C2C4=CC=CC=C4N3C)C5=CC=C(C=C5)C

Isomeric SMILES

CCN(CC)CCOC(=O)C1=CC=C(C=C1)NC(=O)C2=NN(C(=O)C3=C2C4=CC=CC=C4N3C)C5=CC=C(C=C5)C

InChI

InChI=1S/C32H33N5O4/c1-5-36(6-2)19-20-41-32(40)22-13-15-23(16-14-22)33-30(38)28-27-25-9-7-8-10-26(25)35(4)29(27)31(39)37(34-28)24-17-11-21(3)12-18-24/h7-18H,5-6,19-20H2,1-4H3,(H,33,38)