N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]-2-(4-nitropyrazol-1-yl)butanamide

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CN(N=C1)CC2=CC=CC=C2C)N3C=C(C=N3)[N+](=O)[O-]

Isomeric SMILES

CCC(C(=O)NC1=CN(N=C1)CC2=CC=CC=C2C)N3C=C(C=N3)[N+](=O)[O-]

InChI

InChI=1S/C18H20N6O3/c1-3-17(23-12-16(9-20-23)24(26)27)18(25)21-15-8-19-22(11-15)10-14-7-5-4-6-13(14)2/h4-9,11-12,17H,3,10H2,1-2H3,(H,21,25)