N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-pyridin-3-yl-ethyl]-3,4,5-trimethoxy-benzamide

Systemtic Name: N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-pyridin-3-yl-ethyl]-3,4,5-trimethoxy-benzamide Openeye Name: N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(3-pyridyl)ethyl]-3,4,5-trimethoxy-benzamide CAS Name: N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(3-pyridinyl)ethyl]-3,4,5-trimethoxybenzamide IUPAC Name: N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-pyridin-3-ylethyl]-3,4,5-trimethoxybenzamide Traditional Name: N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(3-pyridyl)ethyl]-3,4,5-trimethoxy-benzamide Formula: C26H29N3O4 MolecularWeight: 447.52616

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C(=O)NCC(C2=CN=CC=C2)N3CCC4=CC=CC=C4C3

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C(=O)NCC(C2=CN=CC=C2)N3CCC4=CC=CC=C4C3

InChI

InChI=1S/C26H29N3O4/c1-31-23-13-21(14-24(32-2)25(23)33-3)26(30)28-16-22(19-9-6-11-27-15-19)29-12-10-18-7-4-5-8-20(18)17-29/h4-9,11,13-15,22H,10,12,16-17H2,1-3H3,(H,28,30)