[1-[(2-methoxyphenyl)amino]isoquinolin-4-yl]-[4-(4-methoxyphenyl)piperidin-1-yl]methanone

Systemtic Name: [1-[(2-methoxyphenyl)amino]isoquinolin-4-yl]-[4-(4-methoxyphenyl)piperidin-1-yl]methanone Openeye Name: [1-(2-methoxyanilino)-4-isoquinolyl]-[4-(4-methoxyphenyl)-1-piperidyl]methanone CAS Name: [1-(2-methoxyanilino)-4-isoquinolinyl]-[4-(4-methoxyphenyl)-1-piperidinyl]methanone IUPAC Name: [1-(2-methoxyanilino)isoquinolin-4-yl]-[4-(4-methoxyphenyl)piperidin-1-yl]methanone Traditional Name: [4-(4-methoxyphenyl)piperidino]-[1-(o-anisidino)-4-isoquinolyl]methanone Formula: C29H29N3O3 MolecularWeight: 467.55886

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2CCN(CC2)C(=O)C3=CN=C(C4=CC=CC=C43)NC5=CC=CC=C5OC

Isomeric SMILES

COC1=CC=C(C=C1)C2CCN(CC2)C(=O)C3=CN=C(C4=CC=CC=C43)NC5=CC=CC=C5OC

InChI

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