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

Systemtic Name: (E)-3-(3-nitrophenyl)-3-[4-(phenylcarbonyl)piperazin-1-yl]prop-2-enenitrile Openeye Name: (E)-3-(4-benzoylpiperazin-1-yl)-3-(3-nitrophenyl)prop-2-enenitrile CAS Name: (E)-3-(4-benzoyl-1-piperazinyl)-3-(3-nitrophenyl)-2-propenenitrile IUPAC Name: (E)-3-(4-benzoylpiperazin-1-yl)-3-(3-nitrophenyl)prop-2-enenitrile Traditional Name: (E)-3-(4-benzoylpiperazino)-3-(3-nitrophenyl)acrylonitrile Formula: C20H18N4O3 MolecularWeight: 362.38192

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=CC#N)C2=CC(=CC=C2)[N+](=O)[O-])C(=O)C3=CC=CC=C3

Isomeric SMILES

C1CN(CCN1/C(=C/C#N)/C2=CC(=CC=C2)[N+](=O)[O-])C(=O)C3=CC=CC=C3

InChI

InChI=1S/C20H18N4O3/c21-10-9-19(17-7-4-8-18(15-17)24(26)27)22-11-13-23(14-12-22)20(25)16-5-2-1-3-6-16/h1-9,15H,11-14H2/b19-9+