[2-(3-chlorophenyl)-3-methyl-quinolin-4-yl]-[4-(phenylmethyl)piperazin-1-yl]methanone

Systemtic Name: [2-(3-chlorophenyl)-3-methyl-quinolin-4-yl]-[4-(phenylmethyl)piperazin-1-yl]methanone Openeye Name: (4-benzylpiperazin-1-yl)-[2-(3-chlorophenyl)-3-methyl-4-quinolyl]methanone CAS Name: [2-(3-chlorophenyl)-3-methyl-4-quinolinyl]-[4-(phenylmethyl)-1-piperazinyl]methanone IUPAC Name: (4-benzylpiperazin-1-yl)-[2-(3-chlorophenyl)-3-methylquinolin-4-yl]methanone Traditional Name: (4-benzylpiperazino)-[2-(3-chlorophenyl)-3-methyl-4-quinolyl]methanone Formula: C28H26ClN3O MolecularWeight: 455.97854

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=CC=CC=C2N=C1C3=CC(=CC=C3)Cl)C(=O)N4CCN(CC4)CC5=CC=CC=C5

Isomeric SMILES

CC1=C(C2=CC=CC=C2N=C1C3=CC(=CC=C3)Cl)C(=O)N4CCN(CC4)CC5=CC=CC=C5

InChI

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