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

Systemtic Name: [1-[(4-methoxyphenyl)amino]isoquinolin-4-yl]-[4-(phenylmethyl)piperazin-1-yl]methanone Openeye Name: (4-benzylpiperazin-1-yl)-[1-(4-methoxyanilino)-4-isoquinolyl]methanone CAS Name: [1-(4-methoxyanilino)-4-isoquinolinyl]-[4-(phenylmethyl)-1-piperazinyl]methanone IUPAC Name: (4-benzylpiperazin-1-yl)-[1-(4-methoxyanilino)isoquinolin-4-yl]methanone Traditional Name: (4-benzylpiperazino)-[1-(p-anisidino)-4-isoquinolyl]methanone Formula: C28H28N4O2 MolecularWeight: 452.54752

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)NC2=NC=C(C3=CC=CC=C32)C(=O)N4CCN(CC4)CC5=CC=CC=C5

Isomeric SMILES

COC1=CC=C(C=C1)NC2=NC=C(C3=CC=CC=C32)C(=O)N4CCN(CC4)CC5=CC=CC=C5

InChI

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