5-(4-chlorophenyl)-4-(2-methyl-2-nitro-propyl)-N-phenyl-3,4-dihydropyrazole-2-carboxamide

Systemtic Name: 5-(4-chlorophenyl)-4-(2-methyl-2-nitro-propyl)-N-phenyl-3,4-dihydropyrazole-2-carboxamide Openeye Name: 5-(4-chlorophenyl)-4-(2-methyl-2-nitro-propyl)-N-phenyl-3,4-dihydropyrazole-2-carboxamide CAS Name: 5-(4-chlorophenyl)-4-(2-methyl-2-nitropropyl)-N-phenyl-3,4-dihydropyrazole-2-carboxamide IUPAC Name: 5-(4-chlorophenyl)-4-(2-methyl-2-nitropropyl)-N-phenyl-3,4-dihydropyrazole-2-carboxamide Traditional Name: 3-(4-chlorophenyl)-4-(2-methyl-2-nitro-propyl)-N-phenyl-2-pyrazoline-1-carboxamide Formula: C20H21ClN4O3 MolecularWeight: 400.85874

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CC1CN(N=C1C2=CC=C(C=C2)Cl)C(=O)NC3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC(C)(CC1CN(N=C1C2=CC=C(C=C2)Cl)C(=O)NC3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H21ClN4O3/c1-20(2,25(27)28)12-15-13-24(19(26)22-17-6-4-3-5-7-17)23-18(15)14-8-10-16(21)11-9-14/h3-11,15H,12-13H2,1-2H3,(H,22,26)