N-[(4-ethylphenyl)methyl]-5-methyl-3-(4-methylphenyl)-4-oxidanylidene-pyridazino[4,5-b]indole-1-carboxamide

Systemtic Name: N-[(4-ethylphenyl)methyl]-5-methyl-3-(4-methylphenyl)-4-oxidanylidene-pyridazino[4,5-b]indole-1-carboxamide Openeye Name: N-[(4-ethylphenyl)methyl]-5-methyl-4-oxo-3-(p-tolyl)pyridazino[4,5-b]indole-1-carboxamide CAS Name: N-[(4-ethylphenyl)methyl]-5-methyl-3-(4-methylphenyl)-4-oxo-1-pyridazino[4,5-b]indolecarboxamide IUPAC Name: N-[(4-ethylphenyl)methyl]-5-methyl-3-(4-methylphenyl)-4-oxopyridazino[4,5-b]indole-1-carboxamide Traditional Name: N-(4-ethylbenzyl)-4-keto-5-methyl-3-(p-tolyl)pyridazin[4,5-b]indole-1-carboxamide Formula: C28H26N4O2 MolecularWeight: 450.53164

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)CNC(=O)C2=NN(C(=O)C3=C2C4=CC=CC=C4N3C)C5=CC=C(C=C5)C

Isomeric SMILES

CCC1=CC=C(C=C1)CNC(=O)C2=NN(C(=O)C3=C2C4=CC=CC=C4N3C)C5=CC=C(C=C5)C

InChI

InChI=1S/C28H26N4O2/c1-4-19-11-13-20(14-12-19)17-29-27(33)25-24-22-7-5-6-8-23(22)31(3)26(24)28(34)32(30-25)21-15-9-18(2)10-16-21/h5-16H,4,17H2,1-3H3,(H,29,33)