4-methyl-3-nitro-5-[(1-pyrimidin-2-ylpiperidin-3-yl)amino]benzenecarbonitrile

Systemtic Name: 4-methyl-3-nitro-5-[(1-pyrimidin-2-ylpiperidin-3-yl)amino]benzenecarbonitrile Openeye Name: 4-methyl-3-nitro-5-[(1-pyrimidin-2-yl-3-piperidyl)amino]benzonitrile CAS Name: 4-methyl-3-nitro-5-[[1-(2-pyrimidinyl)-3-piperidinyl]amino]benzonitrile IUPAC Name: 4-methyl-3-nitro-5-[(1-pyrimidin-2-ylpiperidin-3-yl)amino]benzonitrile Traditional Name: 4-methyl-3-nitro-5-[[1-(2-pyrimidyl)-3-piperidyl]amino]benzonitrile Formula: C17H18N6O2 MolecularWeight: 338.36382

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1[N+](=O)[O-])C#N)NC2CCCN(C2)C3=NC=CC=N3

Isomeric SMILES

CC1=C(C=C(C=C1[N+](=O)[O-])C#N)NC2CCCN(C2)C3=NC=CC=N3

InChI

InChI=1S/C17H18N6O2/c1-12-15(8-13(10-18)9-16(12)23(24)25)21-14-4-2-7-22(11-14)17-19-5-3-6-20-17/h3,5-6,8-9,14,21H,2,4,7,11H2,1H3