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

Systemtic Name: N-[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-3-(3-nitropyrazol-1-yl)propanamide Openeye Name: N-[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-3-(3-nitropyrazol-1-yl)propanamide CAS Name: N-[3-[(3,5-dimethyl-1-pyrazolyl)methyl]phenyl]-3-(3-nitro-1-pyrazolyl)propanamide IUPAC Name: N-[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-3-(3-nitropyrazol-1-yl)propanamide Traditional Name: N-[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-3-(3-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=CC(=N3)[N+](=O)[O-])C

Isomeric SMILES

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

InChI

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