5-nitro-2-[2-(4-phenylpiperazin-1-yl)ethylamino]benzenecarbonitrile

Systemtic Name: 5-nitro-2-[2-(4-phenylpiperazin-1-yl)ethylamino]benzenecarbonitrile Openeye Name: 5-nitro-2-[2-(4-phenylpiperazin-1-yl)ethylamino]benzonitrile CAS Name: 5-nitro-2-[2-(4-phenyl-1-piperazinyl)ethylamino]benzonitrile IUPAC Name: 5-nitro-2-[2-(4-phenylpiperazin-1-yl)ethylamino]benzonitrile Traditional Name: 5-nitro-2-[2-(4-phenylpiperazino)ethylamino]benzonitrile Formula: C19H21N5O2 MolecularWeight: 351.40234

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCNC2=C(C=C(C=C2)[N+](=O)[O-])C#N)C3=CC=CC=C3

Isomeric SMILES

C1CN(CCN1CCNC2=C(C=C(C=C2)[N+](=O)[O-])C#N)C3=CC=CC=C3

InChI

InChI=1S/C19H21N5O2/c20-15-16-14-18(24(25)26)6-7-19(16)21-8-9-22-10-12-23(13-11-22)17-4-2-1-3-5-17/h1-7,14,21H,8-13H2