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

Systemtic Name: N-(2-chloranyl-4-methyl-phenyl)-4-(6-oxidanylidene-1-phenyl-pyridazin-3-yl)-1,4-diazepane-1-carboxamide Openeye Name: N-(2-chloro-4-methyl-phenyl)-4-(6-oxo-1-phenyl-pyridazin-3-yl)-1,4-diazepane-1-carboxamide CAS Name: N-(2-chloro-4-methylphenyl)-4-(6-oxo-1-phenyl-3-pyridazinyl)-1,4-diazepane-1-carboxamide IUPAC Name: N-(2-chloro-4-methylphenyl)-4-(6-oxo-1-phenylpyridazin-3-yl)-1,4-diazepane-1-carboxamide Traditional Name: N-(2-chloro-4-methyl-phenyl)-4-(6-keto-1-phenyl-pyridazin-3-yl)-1,4-diazepane-1-carboxamide Formula: C23H24ClN5O2 MolecularWeight: 437.92196

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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=CC=C4)Cl

Isomeric SMILES

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

InChI

InChI=1S/C23H24ClN5O2/c1-17-8-9-20(19(24)16-17)25-23(31)28-13-5-12-27(14-15-28)21-10-11-22(30)29(26-21)18-6-3-2-4-7-18/h2-4,6-11,16H,5,12-15H2,1H3,(H,25,31)