5-nitro-2-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propylamino]benzenecarbonitrile

Systemtic Name: 5-nitro-2-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propylamino]benzenecarbonitrile Openeye Name: 5-nitro-2-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propylamino]benzonitrile CAS Name: 5-nitro-2-[3-[4-(2-pyrimidinyl)-1-piperazinyl]propylamino]benzonitrile IUPAC Name: 5-nitro-2-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propylamino]benzonitrile Traditional Name: 5-nitro-2-[3-[4-(2-pyrimidyl)piperazino]propylamino]benzonitrile Formula: C18H21N7O2 MolecularWeight: 367.40504

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCCNC2=C(C=C(C=C2)[N+](=O)[O-])C#N)C3=NC=CC=N3

Isomeric SMILES

C1CN(CCN1CCCNC2=C(C=C(C=C2)[N+](=O)[O-])C#N)C3=NC=CC=N3

InChI

InChI=1S/C18H21N7O2/c19-14-15-13-16(25(26)27)3-4-17(15)20-7-2-8-23-9-11-24(12-10-23)18-21-5-1-6-22-18/h1,3-6,13,20H,2,7-12H2