N-[4-(cyanomethyl)phenyl]-4-(3,5-dimethyl-4-nitro-pyrazol-1-yl)butanamide

Systemtic Name: N-[4-(cyanomethyl)phenyl]-4-(3,5-dimethyl-4-nitro-pyrazol-1-yl)butanamide Openeye Name: N-[4-(cyanomethyl)phenyl]-4-(3,5-dimethyl-4-nitro-pyrazol-1-yl)butanamide CAS Name: N-[4-(cyanomethyl)phenyl]-4-(3,5-dimethyl-4-nitro-1-pyrazolyl)butanamide IUPAC Name: N-[4-(cyanomethyl)phenyl]-4-(3,5-dimethyl-4-nitropyrazol-1-yl)butanamide Traditional Name: N-[4-(cyanomethyl)phenyl]-4-(3,5-dimethyl-4-nitro-pyrazol-1-yl)butyramide Formula: C17H19N5O3 MolecularWeight: 341.36446

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CCCC(=O)NC2=CC=C(C=C2)CC#N)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1CCCC(=O)NC2=CC=C(C=C2)CC#N)C)[N+](=O)[O-]

InChI

InChI=1S/C17H19N5O3/c1-12-17(22(24)25)13(2)21(20-12)11-3-4-16(23)19-15-7-5-14(6-8-15)9-10-18/h5-8H,3-4,9,11H2,1-2H3,(H,19,23)