3-(1H-imidazol-2-yl)-3-oxidanylidene-2-(2-oxidanylidenepiperazin-1-yl)-2-(phenylmethyl)propanenitrile

Systemtic Name: 3-(1H-imidazol-2-yl)-3-oxidanylidene-2-(2-oxidanylidenepiperazin-1-yl)-2-(phenylmethyl)propanenitrile Openeye Name: 2-benzyl-3-(1H-imidazol-2-yl)-3-oxo-2-(2-oxopiperazin-1-yl)propanenitrile CAS Name: 3-(1H-imidazol-2-yl)-3-oxo-2-(2-oxo-1-piperazinyl)-2-(phenylmethyl)propanenitrile IUPAC Name: 2-benzyl-3-(1H-imidazol-2-yl)-3-oxo-2-(2-oxopiperazin-1-yl)propanenitrile Traditional Name: 2-benzyl-3-(1H-imidazol-2-yl)-3-keto-2-(2-ketopiperazino)propionitrile Formula: C17H17N5O2 MolecularWeight: 323.34918

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(=O)CN1)C(CC2=CC=CC=C2)(C#N)C(=O)C3=NC=CN3

Isomeric SMILES

C1CN(C(=O)CN1)C(CC2=CC=CC=C2)(C#N)C(=O)C3=NC=CN3

InChI

InChI=1S/C17H17N5O2/c18-12-17(10-13-4-2-1-3-5-13,15(24)16-20-6-7-21-16)22-9-8-19-11-14(22)23/h1-7,19H,8-11H2,(H,20,21)