N-[3-chloranyl-4-(3-oxidanylidenepiperazin-1-yl)phenyl]-4-cyano-benzamide

Systemtic Name: N-[3-chloranyl-4-(3-oxidanylidenepiperazin-1-yl)phenyl]-4-cyano-benzamide Openeye Name: N-[3-chloro-4-(3-oxopiperazin-1-yl)phenyl]-4-cyano-benzamide CAS Name: N-[3-chloro-4-(3-oxo-1-piperazinyl)phenyl]-4-cyanobenzamide IUPAC Name: N-[3-chloro-4-(3-oxopiperazin-1-yl)phenyl]-4-cyanobenzamide Traditional Name: N-[3-chloro-4-(3-ketopiperazino)phenyl]-4-cyano-benzamide Formula: C18H15ClN4O2 MolecularWeight: 354.7903

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC(=O)N1)C2=C(C=C(C=C2)NC(=O)C3=CC=C(C=C3)C#N)Cl

Isomeric SMILES

C1CN(CC(=O)N1)C2=C(C=C(C=C2)NC(=O)C3=CC=C(C=C3)C#N)Cl

InChI

InChI=1S/C18H15ClN4O2/c19-15-9-14(5-6-16(15)23-8-7-21-17(24)11-23)22-18(25)13-3-1-12(10-20)2-4-13/h1-6,9H,7-8,11H2,(H,21,24)(H,22,25)