N-(2,5-dimethoxyphenyl)-4-[1-(4-methylphenyl)-6-oxidanylidene-pyridazin-3-yl]-1,4-diazepane-1-carboxamide

Systemtic Name: N-(2,5-dimethoxyphenyl)-4-[1-(4-methylphenyl)-6-oxidanylidene-pyridazin-3-yl]-1,4-diazepane-1-carboxamide Openeye Name: N-(2,5-dimethoxyphenyl)-4-[6-oxo-1-(p-tolyl)pyridazin-3-yl]-1,4-diazepane-1-carboxamide CAS Name: N-(2,5-dimethoxyphenyl)-4-[1-(4-methylphenyl)-6-oxo-3-pyridazinyl]-1,4-diazepane-1-carboxamide IUPAC Name: N-(2,5-dimethoxyphenyl)-4-[1-(4-methylphenyl)-6-oxopyridazin-3-yl]-1,4-diazepane-1-carboxamide Traditional Name: N-(2,5-dimethoxyphenyl)-4-[6-keto-1-(p-tolyl)pyridazin-3-yl]-1,4-diazepane-1-carboxamide Formula: C25H29N5O4 MolecularWeight: 463.52886

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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=CC(=C4)OC)OC

Isomeric SMILES

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

InChI

InChI=1S/C25H29N5O4/c1-18-5-7-19(8-6-18)30-24(31)12-11-23(27-30)28-13-4-14-29(16-15-28)25(32)26-21-17-20(33-2)9-10-22(21)34-3/h5-12,17H,4,13-16H2,1-3H3,(H,26,32)