N-(2-chloranyl-4-methyl-phenyl)-4-[1-(4-methylphenyl)-6-oxidanylidene-pyridazin-3-yl]-1,4-diazepane-1-carboxamide

Systemtic Name: N-(2-chloranyl-4-methyl-phenyl)-4-[1-(4-methylphenyl)-6-oxidanylidene-pyridazin-3-yl]-1,4-diazepane-1-carboxamide Openeye Name: N-(2-chloro-4-methyl-phenyl)-4-[6-oxo-1-(p-tolyl)pyridazin-3-yl]-1,4-diazepane-1-carboxamide CAS Name: N-(2-chloro-4-methylphenyl)-4-[1-(4-methylphenyl)-6-oxo-3-pyridazinyl]-1,4-diazepane-1-carboxamide IUPAC Name: N-(2-chloro-4-methylphenyl)-4-[1-(4-methylphenyl)-6-oxopyridazin-3-yl]-1,4-diazepane-1-carboxamide Traditional Name: N-(2-chloro-4-methyl-phenyl)-4-[6-keto-1-(p-tolyl)pyridazin-3-yl]-1,4-diazepane-1-carboxamide Formula: C24H26ClN5O2 MolecularWeight: 451.94854

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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=C(C=C(C=C4)C)Cl

Isomeric SMILES

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

InChI

InChI=1S/C24H26ClN5O2/c1-17-4-7-19(8-5-17)30-23(31)11-10-22(27-30)28-12-3-13-29(15-14-28)24(32)26-21-9-6-18(2)16-20(21)25/h4-11,16H,3,12-15H2,1-2H3,(H,26,32)