4-(4-bromanyl-5-methyl-3-nitro-pyrazol-1-yl)-N-[3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]butanamide

Systemtic Name: 4-(4-bromanyl-5-methyl-3-nitro-pyrazol-1-yl)-N-[3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]butanamide Openeye Name: 4-(4-bromo-5-methyl-3-nitro-pyrazol-1-yl)-N-[3,5-dimethyl-1-(p-tolylmethyl)pyrazol-4-yl]butanamide CAS Name: 4-(4-bromo-5-methyl-3-nitro-1-pyrazolyl)-N-[3,5-dimethyl-1-[(4-methylphenyl)methyl]-4-pyrazolyl]butanamide IUPAC Name: 4-(4-bromo-5-methyl-3-nitropyrazol-1-yl)-N-[3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]butanamide Traditional Name: 4-(4-bromo-5-methyl-3-nitro-pyrazol-1-yl)-N-[3,5-dimethyl-1-(4-methylbenzyl)pyrazol-4-yl]butyramide Formula: C21H25BrN6O3 MolecularWeight: 489.3656

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25BrN6O3/c1-13-7-9-17(10-8-13)12-27-16(4)20(14(2)24-27)23-18(29)6-5-11-26-15(3)19(22)21(25-26)28(30)31/h7-10H,5-6,11-12H2,1-4H3,(H,23,29)