4-[4-(3-chlorophenyl)piperazin-1-yl]-3-nitro-benzenecarbonitrile

Systemtic Name: 4-[4-(3-chlorophenyl)piperazin-1-yl]-3-nitro-benzenecarbonitrile Openeye Name: 4-[4-(3-chlorophenyl)piperazin-1-yl]-3-nitro-benzonitrile CAS Name: 4-[4-(3-chlorophenyl)-1-piperazinyl]-3-nitrobenzonitrile IUPAC Name: 4-[4-(3-chlorophenyl)piperazin-1-yl]-3-nitrobenzonitrile Traditional Name: 4-[4-(3-chlorophenyl)piperazino]-3-nitro-benzonitrile Formula: C17H15ClN4O2 MolecularWeight: 342.7796

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC(=CC=C2)Cl)C3=C(C=C(C=C3)C#N)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1C2=CC(=CC=C2)Cl)C3=C(C=C(C=C3)C#N)[N+](=O)[O-]

InChI

InChI=1S/C17H15ClN4O2/c18-14-2-1-3-15(11-14)20-6-8-21(9-7-20)16-5-4-13(12-19)10-17(16)22(23)24/h1-5,10-11H,6-9H2