N-[2-(azepan-1-yl)phenyl]-1-(4-chlorophenyl)-6-methyl-4-oxidanylidene-pyridazine-3-carboxamide

Systemtic Name: N-[2-(azepan-1-yl)phenyl]-1-(4-chlorophenyl)-6-methyl-4-oxidanylidene-pyridazine-3-carboxamide Openeye Name: N-[2-(azepan-1-yl)phenyl]-1-(4-chlorophenyl)-6-methyl-4-oxo-pyridazine-3-carboxamide CAS Name: N-[2-(1-azepanyl)phenyl]-1-(4-chlorophenyl)-6-methyl-4-oxo-3-pyridazinecarboxamide IUPAC Name: N-[2-(azepan-1-yl)phenyl]-1-(4-chlorophenyl)-6-methyl-4-oxopyridazine-3-carboxamide Traditional Name: N-[2-(azepan-1-yl)phenyl]-1-(4-chlorophenyl)-4-keto-6-methyl-pyridazine-3-carboxamide Formula: C24H25ClN4O2 MolecularWeight: 436.9339

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)C(=NN1C2=CC=C(C=C2)Cl)C(=O)NC3=CC=CC=C3N4CCCCCC4

Isomeric SMILES

CC1=CC(=O)C(=NN1C2=CC=C(C=C2)Cl)C(=O)NC3=CC=CC=C3N4CCCCCC4

InChI

InChI=1S/C24H25ClN4O2/c1-17-16-22(30)23(27-29(17)19-12-10-18(25)11-13-19)24(31)26-20-8-4-5-9-21(20)28-14-6-2-3-7-15-28/h4-5,8-13,16H,2-3,6-7,14-15H2,1H3,(H,26,31)