[3-(4-methylphenyl)cinnolin-4-yl]-[4-(4-nitrophenyl)piperazin-1-yl]methanone

Systemtic Name: [3-(4-methylphenyl)cinnolin-4-yl]-[4-(4-nitrophenyl)piperazin-1-yl]methanone Openeye Name: [4-(4-nitrophenyl)piperazin-1-yl]-[3-(p-tolyl)cinnolin-4-yl]methanone CAS Name: [3-(4-methylphenyl)-4-cinnolinyl]-[4-(4-nitrophenyl)-1-piperazinyl]methanone IUPAC Name: [3-(4-methylphenyl)cinnolin-4-yl]-[4-(4-nitrophenyl)piperazin-1-yl]methanone Traditional Name: [4-(4-nitrophenyl)piperazino]-[3-(p-tolyl)cinnolin-4-yl]methanone Formula: C26H23N5O3 MolecularWeight: 453.49252

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=C(C3=CC=CC=C3N=N2)C(=O)N4CCN(CC4)C5=CC=C(C=C5)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)C2=C(C3=CC=CC=C3N=N2)C(=O)N4CCN(CC4)C5=CC=C(C=C5)[N+](=O)[O-]

InChI

InChI=1S/C26H23N5O3/c1-18-6-8-19(9-7-18)25-24(22-4-2-3-5-23(22)27-28-25)26(32)30-16-14-29(15-17-30)20-10-12-21(13-11-20)31(33)34/h2-13H,14-17H2,1H3