2-[3-methyl-5-(4-nitrophenyl)-4-propyl-pyrazol-1-yl]-1,2-diphenyl-ethanone

Systemtic Name: 2-[3-methyl-5-(4-nitrophenyl)-4-propyl-pyrazol-1-yl]-1,2-diphenyl-ethanone Openeye Name: 2-[3-methyl-5-(4-nitrophenyl)-4-propyl-pyrazol-1-yl]-1,2-diphenyl-ethanone CAS Name: 2-[3-methyl-5-(4-nitrophenyl)-4-propyl-1-pyrazolyl]-1,2-diphenylethanone IUPAC Name: 2-[3-methyl-5-(4-nitrophenyl)-4-propylpyrazol-1-yl]-1,2-diphenylethanone Traditional Name: 2-[3-methyl-5-(4-nitrophenyl)-4-propyl-pyrazol-1-yl]-1,2-diphenyl-ethanone Formula: C27H25N3O3 MolecularWeight: 439.5057

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(N(N=C1C)C(C2=CC=CC=C2)C(=O)C3=CC=CC=C3)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CCCC1=C(N(N=C1C)C(C2=CC=CC=C2)C(=O)C3=CC=CC=C3)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C27H25N3O3/c1-3-10-24-19(2)28-29(25(24)21-15-17-23(18-16-21)30(32)33)26(20-11-6-4-7-12-20)27(31)22-13-8-5-9-14-22/h4-9,11-18,26H,3,10H2,1-2H3