N-[4-(azepan-1-yl)phenyl]-2-(5-cyano-3,4-dimethyl-6-oxidanylidene-pyridazin-1-yl)ethanamide

Systemtic Name: N-[4-(azepan-1-yl)phenyl]-2-(5-cyano-3,4-dimethyl-6-oxidanylidene-pyridazin-1-yl)ethanamide Openeye Name: N-[4-(azepan-1-yl)phenyl]-2-(5-cyano-3,4-dimethyl-6-oxo-pyridazin-1-yl)acetamide CAS Name: N-[4-(1-azepanyl)phenyl]-2-(5-cyano-3,4-dimethyl-6-oxo-1-pyridazinyl)acetamide IUPAC Name: N-[4-(azepan-1-yl)phenyl]-2-(5-cyano-3,4-dimethyl-6-oxopyridazin-1-yl)acetamide Traditional Name: N-[4-(azepan-1-yl)phenyl]-2-(5-cyano-6-keto-3,4-dimethyl-pyridazin-1-yl)acetamide Formula: C21H25N5O2 MolecularWeight: 379.4555

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N=C1C)CC(=O)NC2=CC=C(C=C2)N3CCCCCC3)C#N

Isomeric SMILES

CC1=C(C(=O)N(N=C1C)CC(=O)NC2=CC=C(C=C2)N3CCCCCC3)C#N

InChI

InChI=1S/C21H25N5O2/c1-15-16(2)24-26(21(28)19(15)13-22)14-20(27)23-17-7-9-18(10-8-17)25-11-5-3-4-6-12-25/h7-10H,3-6,11-12,14H2,1-2H3,(H,23,27)