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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1CC2=CC(=CC=C2)NC(=O)CCN3C=C(C=N3)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=NN1CC2=CC(=CC=C2)NC(=O)CCN3C=C(C=N3)[N+](=O)[O-])C

InChI

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