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

Systemtic Name: [2-(3,4-dimethylphenyl)quinolin-4-yl]-[4-(4-nitrophenyl)piperazin-1-yl]methanone Openeye Name: [2-(3,4-dimethylphenyl)-4-quinolyl]-[4-(4-nitrophenyl)piperazin-1-yl]methanone CAS Name: [2-(3,4-dimethylphenyl)-4-quinolinyl]-[4-(4-nitrophenyl)-1-piperazinyl]methanone IUPAC Name: [2-(3,4-dimethylphenyl)quinolin-4-yl]-[4-(4-nitrophenyl)piperazin-1-yl]methanone Traditional Name: [2-(3,4-dimethylphenyl)-4-quinolyl]-[4-(4-nitrophenyl)piperazino]methanone Formula: C28H26N4O3 MolecularWeight: 466.53104

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)N4CCN(CC4)C5=CC=C(C=C5)[N+](=O)[O-])C

Isomeric SMILES

CC1=C(C=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)N4CCN(CC4)C5=CC=C(C=C5)[N+](=O)[O-])C

InChI

InChI=1S/C28H26N4O3/c1-19-7-8-21(17-20(19)2)27-18-25(24-5-3-4-6-26(24)29-27)28(33)31-15-13-30(14-16-31)22-9-11-23(12-10-22)32(34)35/h3-12,17-18H,13-16H2,1-2H3