N-[5-methyl-2-[(3-methylphenyl)methyl]pyrazol-3-yl]-4-(3-nitropyrazol-1-yl)butanamide

Systemtic Name: N-[5-methyl-2-[(3-methylphenyl)methyl]pyrazol-3-yl]-4-(3-nitropyrazol-1-yl)butanamide Openeye Name: N-[5-methyl-2-(m-tolylmethyl)pyrazol-3-yl]-4-(3-nitropyrazol-1-yl)butanamide CAS Name: N-[5-methyl-2-[(3-methylphenyl)methyl]-3-pyrazolyl]-4-(3-nitro-1-pyrazolyl)butanamide IUPAC Name: N-[5-methyl-2-[(3-methylphenyl)methyl]pyrazol-3-yl]-4-(3-nitropyrazol-1-yl)butanamide Traditional Name: N-[5-methyl-2-(3-methylbenzyl)pyrazol-3-yl]-4-(3-nitropyrazol-1-yl)butyramide Formula: C19H22N6O3 MolecularWeight: 382.41638

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CN2C(=CC(=N2)C)NC(=O)CCCN3C=CC(=N3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=CC=C1)CN2C(=CC(=N2)C)NC(=O)CCCN3C=CC(=N3)[N+](=O)[O-]

InChI

InChI=1S/C19H22N6O3/c1-14-5-3-6-16(11-14)13-24-18(12-15(2)21-24)20-19(26)7-4-9-23-10-8-17(22-23)25(27)28/h3,5-6,8,10-12H,4,7,9,13H2,1-2H3,(H,20,26)