N-[[3,5-dimethyl-1-(phenylmethyl)pyrazol-4-yl]methyl]-5-nitro-pyridin-2-amine

Systemtic Name: N-[[3,5-dimethyl-1-(phenylmethyl)pyrazol-4-yl]methyl]-5-nitro-pyridin-2-amine Openeye Name: N-[(1-benzyl-3,5-dimethyl-pyrazol-4-yl)methyl]-5-nitro-pyridin-2-amine CAS Name: N-[[3,5-dimethyl-1-(phenylmethyl)-4-pyrazolyl]methyl]-5-nitro-2-pyridinamine IUPAC Name: N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-5-nitropyridin-2-amine Traditional Name: (1-benzyl-3,5-dimethyl-pyrazol-4-yl)methyl-(5-nitro-2-pyridyl)amine Formula: C18H19N5O2 MolecularWeight: 337.37576

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC2=CC=CC=C2)C)CNC3=NC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1CC2=CC=CC=C2)C)CNC3=NC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H19N5O2/c1-13-17(11-20-18-9-8-16(10-19-18)23(24)25)14(2)22(21-13)12-15-6-4-3-5-7-15/h3-10H,11-12H2,1-2H3,(H,19,20)