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

Systemtic Name: N-(2-methylphenyl)-4-(6-oxidanylidene-1-phenyl-pyridazin-3-yl)-1,4-diazepane-1-carboxamide Openeye Name: N-(o-tolyl)-4-(6-oxo-1-phenyl-pyridazin-3-yl)-1,4-diazepane-1-carboxamide CAS Name: N-(2-methylphenyl)-4-(6-oxo-1-phenyl-3-pyridazinyl)-1,4-diazepane-1-carboxamide IUPAC Name: N-(2-methylphenyl)-4-(6-oxo-1-phenylpyridazin-3-yl)-1,4-diazepane-1-carboxamide Traditional Name: 4-(6-keto-1-phenyl-pyridazin-3-yl)-N-(o-tolyl)-1,4-diazepane-1-carboxamide Formula: C23H25N5O2 MolecularWeight: 403.4769

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC(=O)N2CCCN(CC2)C3=NN(C(=O)C=C3)C4=CC=CC=C4

Isomeric SMILES

CC1=CC=CC=C1NC(=O)N2CCCN(CC2)C3=NN(C(=O)C=C3)C4=CC=CC=C4

InChI

InChI=1S/C23H25N5O2/c1-18-8-5-6-11-20(18)24-23(30)27-15-7-14-26(16-17-27)21-12-13-22(29)28(25-21)19-9-3-2-4-10-19/h2-6,8-13H,7,14-17H2,1H3,(H,24,30)