N-(3-methylphenyl)-4-[1-(4-methylphenyl)-6-oxidanylidene-pyridazin-3-yl]-1,4-diazepane-1-carboxamide

Systemtic Name: N-(3-methylphenyl)-4-[1-(4-methylphenyl)-6-oxidanylidene-pyridazin-3-yl]-1,4-diazepane-1-carboxamide Openeye Name: N-(m-tolyl)-4-[6-oxo-1-(p-tolyl)pyridazin-3-yl]-1,4-diazepane-1-carboxamide CAS Name: N-(3-methylphenyl)-4-[1-(4-methylphenyl)-6-oxo-3-pyridazinyl]-1,4-diazepane-1-carboxamide IUPAC Name: N-(3-methylphenyl)-4-[1-(4-methylphenyl)-6-oxopyridazin-3-yl]-1,4-diazepane-1-carboxamide Traditional Name: 4-[6-keto-1-(p-tolyl)pyridazin-3-yl]-N-(m-tolyl)-1,4-diazepane-1-carboxamide Formula: C24H27N5O2 MolecularWeight: 417.50348

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=O)C=CC(=N2)N3CCCN(CC3)C(=O)NC4=CC=CC(=C4)C

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=O)C=CC(=N2)N3CCCN(CC3)C(=O)NC4=CC=CC(=C4)C

InChI

InChI=1S/C24H27N5O2/c1-18-7-9-21(10-8-18)29-23(30)12-11-22(26-29)27-13-4-14-28(16-15-27)24(31)25-20-6-3-5-19(2)17-20/h3,5-12,17H,4,13-16H2,1-2H3,(H,25,31)