N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-pyridin-3-yl-ethyl]-2,4-dimethoxy-benzamide

Systemtic Name: N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-pyridin-3-yl-ethyl]-2,4-dimethoxy-benzamide Openeye Name: N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(3-pyridyl)ethyl]-2,4-dimethoxy-benzamide CAS Name: N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(3-pyridinyl)ethyl]-2,4-dimethoxybenzamide IUPAC Name: N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-pyridin-3-ylethyl]-2,4-dimethoxybenzamide Traditional Name: N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(3-pyridyl)ethyl]-2,4-dimethoxy-benzamide Formula: C25H27N3O3 MolecularWeight: 417.50018

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)C(=O)NCC(C2=CN=CC=C2)N3CCC4=CC=CC=C4C3)OC

Isomeric SMILES

COC1=CC(=C(C=C1)C(=O)NCC(C2=CN=CC=C2)N3CCC4=CC=CC=C4C3)OC

InChI

InChI=1S/C25H27N3O3/c1-30-21-9-10-22(24(14-21)31-2)25(29)27-16-23(19-8-5-12-26-15-19)28-13-11-18-6-3-4-7-20(18)17-28/h3-10,12,14-15,23H,11,13,16-17H2,1-2H3,(H,27,29)