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

Systemtic Name: N-(2,4-dimethylphenyl)-4-[1-(3,4-dimethylphenyl)-6-oxidanylidene-pyridazin-3-yl]-1,4-diazepane-1-carboxamide Openeye Name: N-(2,4-dimethylphenyl)-4-[1-(3,4-dimethylphenyl)-6-oxo-pyridazin-3-yl]-1,4-diazepane-1-carboxamide CAS Name: N-(2,4-dimethylphenyl)-4-[1-(3,4-dimethylphenyl)-6-oxo-3-pyridazinyl]-1,4-diazepane-1-carboxamide IUPAC Name: N-(2,4-dimethylphenyl)-4-[1-(3,4-dimethylphenyl)-6-oxopyridazin-3-yl]-1,4-diazepane-1-carboxamide Traditional Name: N-(2,4-dimethylphenyl)-4-[1-(3,4-dimethylphenyl)-6-keto-pyridazin-3-yl]-1,4-diazepane-1-carboxamide Formula: C26H31N5O2 MolecularWeight: 445.55664

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)N2CCCN(CC2)C3=NN(C(=O)C=C3)C4=CC(=C(C=C4)C)C)C

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)N2CCCN(CC2)C3=NN(C(=O)C=C3)C4=CC(=C(C=C4)C)C)C

InChI

InChI=1S/C26H31N5O2/c1-18-6-9-23(21(4)16-18)27-26(33)30-13-5-12-29(14-15-30)24-10-11-25(32)31(28-24)22-8-7-19(2)20(3)17-22/h6-11,16-17H,5,12-15H2,1-4H3,(H,27,33)