(E)-3-(3-nitrophenyl)-3-[4-(phenylmethyl)piperazin-1-yl]prop-2-enenitrile

Systemtic Name: (E)-3-(3-nitrophenyl)-3-[4-(phenylmethyl)piperazin-1-yl]prop-2-enenitrile Openeye Name: (E)-3-(4-benzylpiperazin-1-yl)-3-(3-nitrophenyl)prop-2-enenitrile CAS Name: (E)-3-(3-nitrophenyl)-3-[4-(phenylmethyl)-1-piperazinyl]-2-propenenitrile IUPAC Name: (E)-3-(4-benzylpiperazin-1-yl)-3-(3-nitrophenyl)prop-2-enenitrile Traditional Name: (E)-3-(4-benzylpiperazino)-3-(3-nitrophenyl)acrylonitrile Formula: C20H20N4O2 MolecularWeight: 348.3984

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CC=C2)C(=CC#N)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1CC2=CC=CC=C2)/C(=C/C#N)/C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H20N4O2/c21-10-9-20(18-7-4-8-19(15-18)24(25)26)23-13-11-22(12-14-23)16-17-5-2-1-3-6-17/h1-9,15H,11-14,16H2/b20-9+