2-ethanoyl-3-(3-nitrophenyl)-N-phenyl-5-propan-2-yl-3,4-dihydropyrazole-4-carboxamide

Systemtic Name: 2-ethanoyl-3-(3-nitrophenyl)-N-phenyl-5-propan-2-yl-3,4-dihydropyrazole-4-carboxamide Openeye Name: 2-acetyl-5-isopropyl-3-(3-nitrophenyl)-N-phenyl-3,4-dihydropyrazole-4-carboxamide CAS Name: 2-acetyl-3-(3-nitrophenyl)-N-phenyl-5-propan-2-yl-3,4-dihydropyrazole-4-carboxamide IUPAC Name: 2-acetyl-3-(3-nitrophenyl)-N-phenyl-5-propan-2-yl-3,4-dihydropyrazole-4-carboxamide Traditional Name: 1-acetyl-3-isopropyl-5-(3-nitrophenyl)-N-phenyl-2-pyrazoline-4-carboxamide Formula: C21H22N4O4 MolecularWeight: 394.42378

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=NN(C(C1C(=O)NC2=CC=CC=C2)C3=CC(=CC=C3)[N+](=O)[O-])C(=O)C

Isomeric SMILES

CC(C)C1=NN(C(C1C(=O)NC2=CC=CC=C2)C3=CC(=CC=C3)[N+](=O)[O-])C(=O)C

InChI

InChI=1S/C21H22N4O4/c1-13(2)19-18(21(27)22-16-9-5-4-6-10-16)20(24(23-19)14(3)26)15-8-7-11-17(12-15)25(28)29/h4-13,18,20H,1-3H3,(H,22,27)