(3,4-dimethylphenyl)-[2-[4-(2-nitrophenyl)piperazin-1-yl]carbonylphenyl]methanone

Systemtic Name: (3,4-dimethylphenyl)-[2-[4-(2-nitrophenyl)piperazin-1-yl]carbonylphenyl]methanone Openeye Name: (3,4-dimethylphenyl)-[2-[4-(2-nitrophenyl)piperazine-1-carbonyl]phenyl]methanone CAS Name: (3,4-dimethylphenyl)-[2-[[4-(2-nitrophenyl)-1-piperazinyl]-oxomethyl]phenyl]methanone IUPAC Name: (3,4-dimethylphenyl)-[2-[4-(2-nitrophenyl)piperazine-1-carbonyl]phenyl]methanone Traditional Name: (3,4-dimethylphenyl)-[2-[4-(2-nitrophenyl)piperazine-1-carbonyl]phenyl]methanone Formula: C26H25N3O4 MolecularWeight: 443.4944

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)C2=CC=CC=C2C(=O)N3CCN(CC3)C4=CC=CC=C4[N+](=O)[O-])C

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)C2=CC=CC=C2C(=O)N3CCN(CC3)C4=CC=CC=C4[N+](=O)[O-])C

InChI

InChI=1S/C26H25N3O4/c1-18-11-12-20(17-19(18)2)25(30)21-7-3-4-8-22(21)26(31)28-15-13-27(14-16-28)23-9-5-6-10-24(23)29(32)33/h3-12,17H,13-16H2,1-2H3