4-[4-(diphenylmethyl)piperazin-1-yl]-5-nitro-benzene-1,2-dicarbonitrile

Systemtic Name: 4-[4-(diphenylmethyl)piperazin-1-yl]-5-nitro-benzene-1,2-dicarbonitrile Openeye Name: 4-(4-benzhydrylpiperazin-1-yl)-5-nitro-phthalonitrile CAS Name: 4-[4-(diphenylmethyl)-1-piperazinyl]-5-nitrobenzene-1,2-dicarbonitrile IUPAC Name: 4-(4-benzhydrylpiperazin-1-yl)-5-nitrobenzene-1,2-dicarbonitrile Traditional Name: 4-(4-benzhydrylpiperazino)-5-nitro-phthalonitrile Formula: C25H21N5O2 MolecularWeight: 423.46654

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H21N5O2/c26-17-21-15-23(24(30(31)32)16-22(21)18-27)28-11-13-29(14-12-28)25(19-7-3-1-4-8-19)20-9-5-2-6-10-20/h1-10,15-16,25H,11-14H2