3-[4-(2-naphthalen-2-ylethyl)-5-oxidanylidene-piperazin-2-yl]propanenitrile

Systemtic Name: 3-[4-(2-naphthalen-2-ylethyl)-5-oxidanylidene-piperazin-2-yl]propanenitrile Openeye Name: 3-[4-[2-(2-naphthyl)ethyl]-5-oxo-piperazin-2-yl]propanenitrile CAS Name: 3-[4-[2-(2-naphthalenyl)ethyl]-5-oxo-2-piperazinyl]propanenitrile IUPAC Name: 3-[4-(2-naphthalen-2-ylethyl)-5-oxopiperazin-2-yl]propanenitrile Traditional Name: 3-[5-keto-4-[2-(2-naphthyl)ethyl]piperazin-2-yl]propionitrile Formula: C19H21N3O MolecularWeight: 307.38954

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Descriptors Computed from Structure

Canonical SMILES:

C1C(NCC(=O)N1CCC2=CC3=CC=CC=C3C=C2)CCC#N

Isomeric SMILES

C1C(NCC(=O)N1CCC2=CC3=CC=CC=C3C=C2)CCC#N

InChI

InChI=1S/C19H21N3O/c20-10-3-6-18-14-22(19(23)13-21-18)11-9-15-7-8-16-4-1-2-5-17(16)12-15/h1-2,4-5,7-8,12,18,21H,3,6,9,11,13-14H2