[2-(2,5-dimethylphenyl)-3-methyl-quinolin-4-yl]-(4-phenylpiperazin-1-yl)methanone

Systemtic Name: [2-(2,5-dimethylphenyl)-3-methyl-quinolin-4-yl]-(4-phenylpiperazin-1-yl)methanone Openeye Name: [2-(2,5-dimethylphenyl)-3-methyl-4-quinolyl]-(4-phenylpiperazin-1-yl)methanone CAS Name: [2-(2,5-dimethylphenyl)-3-methyl-4-quinolinyl]-(4-phenyl-1-piperazinyl)methanone IUPAC Name: [2-(2,5-dimethylphenyl)-3-methylquinolin-4-yl]-(4-phenylpiperazin-1-yl)methanone Traditional Name: [2-(2,5-dimethylphenyl)-3-methyl-4-quinolyl]-(4-phenylpiperazino)methanone Formula: C29H29N3O MolecularWeight: 435.56006

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)C2=NC3=CC=CC=C3C(=C2C)C(=O)N4CCN(CC4)C5=CC=CC=C5

Isomeric SMILES

CC1=CC(=C(C=C1)C)C2=NC3=CC=CC=C3C(=C2C)C(=O)N4CCN(CC4)C5=CC=CC=C5

InChI

InChI=1S/C29H29N3O/c1-20-13-14-21(2)25(19-20)28-22(3)27(24-11-7-8-12-26(24)30-28)29(33)32-17-15-31(16-18-32)23-9-5-4-6-10-23/h4-14,19H,15-18H2,1-3H3