[2-(2-chlorophenyl)-6-methyl-quinolin-4-yl]-[4-(phenylmethyl)piperazin-1-yl]methanone

Systemtic Name: [2-(2-chlorophenyl)-6-methyl-quinolin-4-yl]-[4-(phenylmethyl)piperazin-1-yl]methanone Openeye Name: (4-benzylpiperazin-1-yl)-[2-(2-chlorophenyl)-6-methyl-4-quinolyl]methanone CAS Name: [2-(2-chlorophenyl)-6-methyl-4-quinolinyl]-[4-(phenylmethyl)-1-piperazinyl]methanone IUPAC Name: (4-benzylpiperazin-1-yl)-[2-(2-chlorophenyl)-6-methylquinolin-4-yl]methanone Traditional Name: (4-benzylpiperazino)-[2-(2-chlorophenyl)-6-methyl-4-quinolyl]methanone Formula: C28H26ClN3O MolecularWeight: 455.97854

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(C=C2C(=O)N3CCN(CC3)CC4=CC=CC=C4)C5=CC=CC=C5Cl

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(C=C2C(=O)N3CCN(CC3)CC4=CC=CC=C4)C5=CC=CC=C5Cl

InChI

InChI=1S/C28H26ClN3O/c1-20-11-12-26-23(17-20)24(18-27(30-26)22-9-5-6-10-25(22)29)28(33)32-15-13-31(14-16-32)19-21-7-3-2-4-8-21/h2-12,17-18H,13-16,19H2,1H3