N-(2,5-dimethylphenyl)-4-(6-oxidanylidene-1-phenyl-pyridazin-3-yl)-1,4-diazepane-1-carboxamide

Systemtic Name: N-(2,5-dimethylphenyl)-4-(6-oxidanylidene-1-phenyl-pyridazin-3-yl)-1,4-diazepane-1-carboxamide Openeye Name: N-(2,5-dimethylphenyl)-4-(6-oxo-1-phenyl-pyridazin-3-yl)-1,4-diazepane-1-carboxamide CAS Name: N-(2,5-dimethylphenyl)-4-(6-oxo-1-phenyl-3-pyridazinyl)-1,4-diazepane-1-carboxamide IUPAC Name: N-(2,5-dimethylphenyl)-4-(6-oxo-1-phenylpyridazin-3-yl)-1,4-diazepane-1-carboxamide Traditional Name: N-(2,5-dimethylphenyl)-4-(6-keto-1-phenyl-pyridazin-3-yl)-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)C)NC(=O)N2CCCN(CC2)C3=NN(C(=O)C=C3)C4=CC=CC=C4

Isomeric SMILES

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

InChI

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