2-[4-(diphenylmethyl)piperazin-1-yl]-5-nitro-benzenecarbonitrile

Systemtic Name: 2-[4-(diphenylmethyl)piperazin-1-yl]-5-nitro-benzenecarbonitrile Openeye Name: 2-(4-benzhydrylpiperazin-1-yl)-5-nitro-benzonitrile CAS Name: 2-[4-(diphenylmethyl)-1-piperazinyl]-5-nitrobenzonitrile IUPAC Name: 2-(4-benzhydrylpiperazin-1-yl)-5-nitrobenzonitrile Traditional Name: 2-(4-benzhydrylpiperazino)-5-nitro-benzonitrile Formula: C24H22N4O2 MolecularWeight: 398.45708

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=C(C=C(C=C2)[N+](=O)[O-])C#N)C(C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

C1CN(CCN1C2=C(C=C(C=C2)[N+](=O)[O-])C#N)C(C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C24H22N4O2/c25-18-21-17-22(28(29)30)11-12-23(21)26-13-15-27(16-14-26)24(19-7-3-1-4-8-19)20-9-5-2-6-10-20/h1-12,17,24H,13-16H2