3-(5-methyl-4-nitro-pyrazol-1-yl)-N-[1-[(2-methylphenyl)methyl]pyrazol-3-yl]propanamide

Systemtic Name: 3-(5-methyl-4-nitro-pyrazol-1-yl)-N-[1-[(2-methylphenyl)methyl]pyrazol-3-yl]propanamide Openeye Name: 3-(5-methyl-4-nitro-pyrazol-1-yl)-N-[1-(o-tolylmethyl)pyrazol-3-yl]propanamide CAS Name: 3-(5-methyl-4-nitro-1-pyrazolyl)-N-[1-[(2-methylphenyl)methyl]-3-pyrazolyl]propanamide IUPAC Name: 3-(5-methyl-4-nitropyrazol-1-yl)-N-[1-[(2-methylphenyl)methyl]pyrazol-3-yl]propanamide Traditional Name: N-[1-(2-methylbenzyl)pyrazol-3-yl]-3-(5-methyl-4-nitro-pyrazol-1-yl)propionamide Formula: C18H20N6O3 MolecularWeight: 368.3898

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CN2C=CC(=N2)NC(=O)CCN3C(=C(C=N3)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC=CC=C1CN2C=CC(=N2)NC(=O)CCN3C(=C(C=N3)[N+](=O)[O-])C

InChI

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