[2-(3,4-dimethylphenyl)-8-methyl-quinolin-4-yl]-[4-(phenylmethyl)piperazin-1-yl]methanone

Systemtic Name: [2-(3,4-dimethylphenyl)-8-methyl-quinolin-4-yl]-[4-(phenylmethyl)piperazin-1-yl]methanone Openeye Name: (4-benzylpiperazin-1-yl)-[2-(3,4-dimethylphenyl)-8-methyl-4-quinolyl]methanone CAS Name: [2-(3,4-dimethylphenyl)-8-methyl-4-quinolinyl]-[4-(phenylmethyl)-1-piperazinyl]methanone IUPAC Name: (4-benzylpiperazin-1-yl)-[2-(3,4-dimethylphenyl)-8-methylquinolin-4-yl]methanone Traditional Name: (4-benzylpiperazino)-[2-(3,4-dimethylphenyl)-8-methyl-4-quinolyl]methanone Formula: C30H31N3O MolecularWeight: 449.58664

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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