N-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl]-3-(3-nitropyrazol-1-yl)propanamide

Systemtic Name: N-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl]-3-(3-nitropyrazol-1-yl)propanamide Openeye Name: N-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl]-3-(3-nitropyrazol-1-yl)propanamide CAS Name: N-[(3,5-dimethyl-1-phenyl-4-pyrazolyl)methyl]-3-(3-nitro-1-pyrazolyl)propanamide IUPAC Name: N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-3-(3-nitropyrazol-1-yl)propanamide Traditional Name: N-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl]-3-(3-nitropyrazol-1-yl)propionamide Formula: C18H20N6O3 MolecularWeight: 368.3898

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=CC=C2)C)CNC(=O)CCN3C=CC(=N3)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1C2=CC=CC=C2)C)CNC(=O)CCN3C=CC(=N3)[N+](=O)[O-]

InChI

InChI=1S/C18H20N6O3/c1-13-16(14(2)23(20-13)15-6-4-3-5-7-15)12-19-18(25)9-11-22-10-8-17(21-22)24(26)27/h3-8,10H,9,11-12H2,1-2H3,(H,19,25)