N-[4-chloranyl-1-(phenylmethyl)pyrazol-3-yl]-1-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]pyrazole-3-carboxamide

Systemtic Name: N-[4-chloranyl-1-(phenylmethyl)pyrazol-3-yl]-1-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]pyrazole-3-carboxamide Openeye Name: N-(1-benzyl-4-chloro-pyrazol-3-yl)-1-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]pyrazole-3-carboxamide CAS Name: N-[4-chloro-1-(phenylmethyl)-3-pyrazolyl]-1-[(3,5-dimethyl-4-nitro-1-pyrazolyl)methyl]-3-pyrazolecarboxamide IUPAC Name: N-(1-benzyl-4-chloropyrazol-3-yl)-1-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]pyrazole-3-carboxamide Traditional Name: N-(1-benzyl-4-chloro-pyrazol-3-yl)-1-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]pyrazole-3-carboxamide Formula: C20H19ClN8O3 MolecularWeight: 454.86966

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CN2C=CC(=N2)C(=O)NC3=NN(C=C3Cl)CC4=CC=CC=C4)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1CN2C=CC(=N2)C(=O)NC3=NN(C=C3Cl)CC4=CC=CC=C4)C)[N+](=O)[O-]

InChI

InChI=1S/C20H19ClN8O3/c1-13-18(29(31)32)14(2)28(23-13)12-26-9-8-17(24-26)20(30)22-19-16(21)11-27(25-19)10-15-6-4-3-5-7-15/h3-9,11H,10,12H2,1-2H3,(H,22,25,30)