4-[3-oxidanylidene-2-(phenylmethyl)piperazin-1-yl]carbonylbenzenecarbonitrile

Systemtic Name: 4-[3-oxidanylidene-2-(phenylmethyl)piperazin-1-yl]carbonylbenzenecarbonitrile Openeye Name: 4-(2-benzyl-3-oxo-piperazine-1-carbonyl)benzonitrile CAS Name: 4-[oxo-[3-oxo-2-(phenylmethyl)-1-piperazinyl]methyl]benzonitrile IUPAC Name: 4-(2-benzyl-3-oxopiperazine-1-carbonyl)benzonitrile Traditional Name: 4-(2-benzyl-3-keto-piperazine-1-carbonyl)benzonitrile Formula: C19H17N3O2 MolecularWeight: 319.35718

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(C(=O)N1)CC2=CC=CC=C2)C(=O)C3=CC=C(C=C3)C#N

Isomeric SMILES

C1CN(C(C(=O)N1)CC2=CC=CC=C2)C(=O)C3=CC=C(C=C3)C#N

InChI

InChI=1S/C19H17N3O2/c20-13-15-6-8-16(9-7-15)19(24)22-11-10-21-18(23)17(22)12-14-4-2-1-3-5-14/h1-9,17H,10-12H2,(H,21,23)