[2-[(2-methoxyphenyl)amino]quinolin-4-yl]-[4-(phenylmethyl)piperazin-1-yl]methanone

Systemtic Name: [2-[(2-methoxyphenyl)amino]quinolin-4-yl]-[4-(phenylmethyl)piperazin-1-yl]methanone Openeye Name: (4-benzylpiperazin-1-yl)-[2-(2-methoxyanilino)-4-quinolyl]methanone CAS Name: [2-(2-methoxyanilino)-4-quinolinyl]-[4-(phenylmethyl)-1-piperazinyl]methanone IUPAC Name: (4-benzylpiperazin-1-yl)-[2-(2-methoxyanilino)quinolin-4-yl]methanone Traditional Name: (4-benzylpiperazino)-[2-(o-anisidino)-4-quinolyl]methanone Formula: C28H28N4O2 MolecularWeight: 452.54752

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1NC2=NC3=CC=CC=C3C(=C2)C(=O)N4CCN(CC4)CC5=CC=CC=C5

Isomeric SMILES

COC1=CC=CC=C1NC2=NC3=CC=CC=C3C(=C2)C(=O)N4CCN(CC4)CC5=CC=CC=C5

InChI

InChI=1S/C28H28N4O2/c1-34-26-14-8-7-13-25(26)30-27-19-23(22-11-5-6-12-24(22)29-27)28(33)32-17-15-31(16-18-32)20-21-9-3-2-4-10-21/h2-14,19H,15-18,20H2,1H3,(H,29,30)