[6,7-dimethoxy-4-[4-(phenylmethyl)piperazin-1-yl]quinolin-3-yl]-phenyl-methanone

Systemtic Name: [6,7-dimethoxy-4-[4-(phenylmethyl)piperazin-1-yl]quinolin-3-yl]-phenyl-methanone Openeye Name: [4-(4-benzylpiperazin-1-yl)-6,7-dimethoxy-3-quinolyl]-phenyl-methanone CAS Name: [6,7-dimethoxy-4-[4-(phenylmethyl)-1-piperazinyl]-3-quinolinyl]-phenylmethanone IUPAC Name: [4-(4-benzylpiperazin-1-yl)-6,7-dimethoxyquinolin-3-yl]-phenylmethanone Traditional Name: [4-(4-benzylpiperazino)-6,7-dimethoxy-3-quinolyl]-phenyl-methanone Formula: C29H29N3O3 MolecularWeight: 467.55886

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=C(C=N2)C(=O)C3=CC=CC=C3)N4CCN(CC4)CC5=CC=CC=C5)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=C(C=N2)C(=O)C3=CC=CC=C3)N4CCN(CC4)CC5=CC=CC=C5)OC

InChI

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