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

Systemtic Name: [1-[(2-methoxyphenyl)amino]isoquinolin-4-yl]-[4-(phenylmethyl)piperidin-1-yl]methanone Openeye Name: (4-benzyl-1-piperidyl)-[1-(2-methoxyanilino)-4-isoquinolyl]methanone CAS Name: [1-(2-methoxyanilino)-4-isoquinolinyl]-[4-(phenylmethyl)-1-piperidinyl]methanone IUPAC Name: (4-benzylpiperidin-1-yl)-[1-(2-methoxyanilino)isoquinolin-4-yl]methanone Traditional Name: (4-benzylpiperidino)-[1-(o-anisidino)-4-isoquinolyl]methanone Formula: C29H29N3O2 MolecularWeight: 451.55946

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1NC2=NC=C(C3=CC=CC=C32)C(=O)N4CCC(CC4)CC5=CC=CC=C5

Isomeric SMILES

COC1=CC=CC=C1NC2=NC=C(C3=CC=CC=C32)C(=O)N4CCC(CC4)CC5=CC=CC=C5

InChI

InChI=1S/C29H29N3O2/c1-34-27-14-8-7-13-26(27)31-28-24-12-6-5-11-23(24)25(20-30-28)29(33)32-17-15-22(16-18-32)19-21-9-3-2-4-10-21/h2-14,20,22H,15-19H2,1H3,(H,30,31)