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

Systemtic Name: [2-(2,5-dimethylphenyl)-3-methyl-quinolin-4-yl]-[4-(phenylmethyl)piperazin-1-yl]methanone Openeye Name: (4-benzylpiperazin-1-yl)-[2-(2,5-dimethylphenyl)-3-methyl-4-quinolyl]methanone CAS Name: [2-(2,5-dimethylphenyl)-3-methyl-4-quinolinyl]-[4-(phenylmethyl)-1-piperazinyl]methanone IUPAC Name: (4-benzylpiperazin-1-yl)-[2-(2,5-dimethylphenyl)-3-methylquinolin-4-yl]methanone Traditional Name: (4-benzylpiperazino)-[2-(2,5-dimethylphenyl)-3-methyl-4-quinolyl]methanone Formula: C30H31N3O MolecularWeight: 449.58664

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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)CC5=CC=CC=C5

Isomeric SMILES

CC1=CC(=C(C=C1)C)C2=NC3=CC=CC=C3C(=C2C)C(=O)N4CCN(CC4)CC5=CC=CC=C5

InChI

InChI=1S/C30H31N3O/c1-21-13-14-22(2)26(19-21)29-23(3)28(25-11-7-8-12-27(25)31-29)30(34)33-17-15-32(16-18-33)20-24-9-5-4-6-10-24/h4-14,19H,15-18,20H2,1-3H3