N-(3-chloranyl-4-cyano-phenyl)-2-(1,4-diazepan-1-yl)-2-oxidanylidene-ethanamide

Systemtic Name: N-(3-chloranyl-4-cyano-phenyl)-2-(1,4-diazepan-1-yl)-2-oxidanylidene-ethanamide Openeye Name: N-(3-chloro-4-cyano-phenyl)-2-(1,4-diazepan-1-yl)-2-oxo-acetamide CAS Name: N-(3-chloro-4-cyanophenyl)-2-(1,4-diazepan-1-yl)-2-oxoacetamide IUPAC Name: N-(3-chloro-4-cyanophenyl)-2-(1,4-diazepan-1-yl)-2-oxoacetamide Traditional Name: N-(3-chloro-4-cyano-phenyl)-2-(1,4-diazepan-1-yl)-2-keto-acetamide Formula: C14H15ClN4O2 MolecularWeight: 306.7475

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCN(C1)C(=O)C(=O)NC2=CC(=C(C=C2)C#N)Cl

Isomeric SMILES

C1CNCCN(C1)C(=O)C(=O)NC2=CC(=C(C=C2)C#N)Cl

InChI

InChI=1S/C14H15ClN4O2/c15-12-8-11(3-2-10(12)9-16)18-13(20)14(21)19-6-1-4-17-5-7-19/h2-3,8,17H,1,4-7H2,(H,18,20)