2-[5-[(2-methylphenyl)methyl]-4-oxidanylidene-pyridazino[4,5-b]indol-3-yl]-N-phenethyl-ethanamide

Systemtic Name: 2-[5-[(2-methylphenyl)methyl]-4-oxidanylidene-pyridazino[4,5-b]indol-3-yl]-N-phenethyl-ethanamide Openeye Name: 2-[5-(o-tolylmethyl)-4-oxo-pyridazino[4,5-b]indol-3-yl]-N-phenethyl-acetamide CAS Name: 2-[5-[(2-methylphenyl)methyl]-4-oxo-3-pyridazino[4,5-b]indolyl]-N-phenethylacetamide IUPAC Name: 2-[5-[(2-methylphenyl)methyl]-4-oxopyridazino[4,5-b]indol-3-yl]-N-phenethylacetamide Traditional Name: 2-[4-keto-5-(2-methylbenzyl)pyridazin[4,5-b]indol-3-yl]-N-phenethyl-acetamide Formula: C28H26N4O2 MolecularWeight: 450.53164

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CN2C3=CC=CC=C3C4=C2C(=O)N(N=C4)CC(=O)NCCC5=CC=CC=C5

Isomeric SMILES

CC1=CC=CC=C1CN2C3=CC=CC=C3C4=C2C(=O)N(N=C4)CC(=O)NCCC5=CC=CC=C5

InChI

InChI=1S/C28H26N4O2/c1-20-9-5-6-12-22(20)18-31-25-14-8-7-13-23(25)24-17-30-32(28(34)27(24)31)19-26(33)29-16-15-21-10-3-2-4-11-21/h2-14,17H,15-16,18-19H2,1H3,(H,29,33)