3-nitro-4-[[2-[(4-phenylpiperazin-1-yl)methyl]phenyl]methylamino]benzenecarbonitrile

Systemtic Name: 3-nitro-4-[[2-[(4-phenylpiperazin-1-yl)methyl]phenyl]methylamino]benzenecarbonitrile Openeye Name: 3-nitro-4-[[2-[(4-phenylpiperazin-1-yl)methyl]phenyl]methylamino]benzonitrile CAS Name: 3-nitro-4-[[2-[(4-phenyl-1-piperazinyl)methyl]phenyl]methylamino]benzonitrile IUPAC Name: 3-nitro-4-[[2-[(4-phenylpiperazin-1-yl)methyl]phenyl]methylamino]benzonitrile Traditional Name: 3-nitro-4-[[2-[(4-phenylpiperazino)methyl]benzyl]amino]benzonitrile Formula: C25H25N5O2 MolecularWeight: 427.4983

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CC=C2CNC3=C(C=C(C=C3)C#N)[N+](=O)[O-])C4=CC=CC=C4

Isomeric SMILES

C1CN(CCN1CC2=CC=CC=C2CNC3=C(C=C(C=C3)C#N)[N+](=O)[O-])C4=CC=CC=C4

InChI

InChI=1S/C25H25N5O2/c26-17-20-10-11-24(25(16-20)30(31)32)27-18-21-6-4-5-7-22(21)19-28-12-14-29(15-13-28)23-8-2-1-3-9-23/h1-11,16,27H,12-15,18-19H2