3-cyano-N-[4-(1-oxidanylidene-1-piperazin-1-yl-propan-2-yl)phenyl]benzamide

Systemtic Name: 3-cyano-N-[4-(1-oxidanylidene-1-piperazin-1-yl-propan-2-yl)phenyl]benzamide Openeye Name: 3-cyano-N-[4-(1-methyl-2-oxo-2-piperazin-1-yl-ethyl)phenyl]benzamide CAS Name: 3-cyano-N-[4-[1-oxo-1-(1-piperazinyl)propan-2-yl]phenyl]benzamide IUPAC Name: 3-cyano-N-[4-(1-oxo-1-piperazin-1-ylpropan-2-yl)phenyl]benzamide Traditional Name: 3-cyano-N-[4-(2-keto-1-methyl-2-piperazino-ethyl)phenyl]benzamide Formula: C21H22N4O2 MolecularWeight: 362.42498

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=C(C=C1)NC(=O)C2=CC=CC(=C2)C#N)C(=O)N3CCNCC3

Isomeric SMILES

CC(C1=CC=C(C=C1)NC(=O)C2=CC=CC(=C2)C#N)C(=O)N3CCNCC3

InChI

InChI=1S/C21H22N4O2/c1-15(21(27)25-11-9-23-10-12-25)17-5-7-19(8-6-17)24-20(26)18-4-2-3-16(13-18)14-22/h2-8,13,15,23H,9-12H2,1H3,(H,24,26)