[2-(2,4-dimethoxyphenyl)quinolin-4-yl]-[4-(phenylmethyl)piperazin-1-yl]methanone

Systemtic Name: [2-(2,4-dimethoxyphenyl)quinolin-4-yl]-[4-(phenylmethyl)piperazin-1-yl]methanone Openeye Name: (4-benzylpiperazin-1-yl)-[2-(2,4-dimethoxyphenyl)-4-quinolyl]methanone CAS Name: [2-(2,4-dimethoxyphenyl)-4-quinolinyl]-[4-(phenylmethyl)-1-piperazinyl]methanone IUPAC Name: (4-benzylpiperazin-1-yl)-[2-(2,4-dimethoxyphenyl)quinolin-4-yl]methanone Traditional Name: (4-benzylpiperazino)-[2-(2,4-dimethoxyphenyl)-4-quinolyl]methanone Formula: C29H29N3O3 MolecularWeight: 467.55886

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)N4CCN(CC4)CC5=CC=CC=C5)OC

Isomeric SMILES

COC1=CC(=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)N4CCN(CC4)CC5=CC=CC=C5)OC

InChI

InChI=1S/C29H29N3O3/c1-34-22-12-13-24(28(18-22)35-2)27-19-25(23-10-6-7-11-26(23)30-27)29(33)32-16-14-31(15-17-32)20-21-8-4-3-5-9-21/h3-13,18-19H,14-17,20H2,1-2H3