[2-(3-chlorophenyl)-4-ethoxy-quinolin-6-yl]-[4-(phenylmethyl)piperazin-1-yl]methanone

Systemtic Name: [2-(3-chlorophenyl)-4-ethoxy-quinolin-6-yl]-[4-(phenylmethyl)piperazin-1-yl]methanone Openeye Name: (4-benzylpiperazin-1-yl)-[2-(3-chlorophenyl)-4-ethoxy-6-quinolyl]methanone CAS Name: [2-(3-chlorophenyl)-4-ethoxy-6-quinolinyl]-[4-(phenylmethyl)-1-piperazinyl]methanone IUPAC Name: (4-benzylpiperazin-1-yl)-[2-(3-chlorophenyl)-4-ethoxyquinolin-6-yl]methanone Traditional Name: (4-benzylpiperazino)-[2-(3-chlorophenyl)-4-ethoxy-6-quinolyl]methanone Formula: C29H28ClN3O2 MolecularWeight: 486.00452

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=NC2=C1C=C(C=C2)C(=O)N3CCN(CC3)CC4=CC=CC=C4)C5=CC(=CC=C5)Cl

Isomeric SMILES

CCOC1=CC(=NC2=C1C=C(C=C2)C(=O)N3CCN(CC3)CC4=CC=CC=C4)C5=CC(=CC=C5)Cl

InChI

InChI=1S/C29H28ClN3O2/c1-2-35-28-19-27(22-9-6-10-24(30)17-22)31-26-12-11-23(18-25(26)28)29(34)33-15-13-32(14-16-33)20-21-7-4-3-5-8-21/h3-12,17-19H,2,13-16,20H2,1H3