4-[[4-(3-nitrophenyl)carbonylpiperazin-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 4-[[4-(3-nitrophenyl)carbonylpiperazin-1-yl]methyl]benzenecarbonitrile Openeye Name: 4-[[4-(3-nitrobenzoyl)piperazin-1-yl]methyl]benzonitrile CAS Name: 4-[[4-[(3-nitrophenyl)-oxomethyl]-1-piperazinyl]methyl]benzonitrile IUPAC Name: 4-[[4-(3-nitrobenzoyl)piperazin-1-yl]methyl]benzonitrile Traditional Name: 4-[[4-(3-nitrobenzoyl)piperazino]methyl]benzonitrile Formula: C19H18N4O3 MolecularWeight: 350.37122

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H18N4O3/c20-13-15-4-6-16(7-5-15)14-21-8-10-22(11-9-21)19(24)17-2-1-3-18(12-17)23(25)26/h1-7,12H,8-11,14H2