[4-(2,5-dimethylphenyl)piperazin-1-yl]-(6-methyl-3-phenyl-cinnolin-4-yl)methanone

Systemtic Name: [4-(2,5-dimethylphenyl)piperazin-1-yl]-(6-methyl-3-phenyl-cinnolin-4-yl)methanone Openeye Name: [4-(2,5-dimethylphenyl)piperazin-1-yl]-(6-methyl-3-phenyl-cinnolin-4-yl)methanone CAS Name: [4-(2,5-dimethylphenyl)-1-piperazinyl]-(6-methyl-3-phenyl-4-cinnolinyl)methanone IUPAC Name: [4-(2,5-dimethylphenyl)piperazin-1-yl]-(6-methyl-3-phenylcinnolin-4-yl)methanone Traditional Name: [4-(2,5-dimethylphenyl)piperazino]-(6-methyl-3-phenyl-cinnolin-4-yl)methanone Formula: C28H28N4O MolecularWeight: 436.54812

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C(=NN=C2C=C1)C3=CC=CC=C3)C(=O)N4CCN(CC4)C5=C(C=CC(=C5)C)C

Isomeric SMILES

CC1=CC2=C(C(=NN=C2C=C1)C3=CC=CC=C3)C(=O)N4CCN(CC4)C5=C(C=CC(=C5)C)C

InChI

InChI=1S/C28H28N4O/c1-19-10-12-24-23(17-19)26(27(30-29-24)22-7-5-4-6-8-22)28(33)32-15-13-31(14-16-32)25-18-20(2)9-11-21(25)3/h4-12,17-18H,13-16H2,1-3H3