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

Systemtic Name: N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-pyridin-3-yl-ethyl]-4-ethoxy-benzamide Openeye Name: N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(3-pyridyl)ethyl]-4-ethoxy-benzamide CAS Name: N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(3-pyridinyl)ethyl]-4-ethoxybenzamide IUPAC Name: N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-pyridin-3-ylethyl]-4-ethoxybenzamide Traditional Name: N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(3-pyridyl)ethyl]-4-ethoxy-benzamide Formula: C25H27N3O2 MolecularWeight: 401.50078

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C(=O)NCC(C2=CN=CC=C2)N3CCC4=CC=CC=C4C3

Isomeric SMILES

CCOC1=CC=C(C=C1)C(=O)NCC(C2=CN=CC=C2)N3CCC4=CC=CC=C4C3

InChI

InChI=1S/C25H27N3O2/c1-2-30-23-11-9-20(10-12-23)25(29)27-17-24(21-8-5-14-26-16-21)28-15-13-19-6-3-4-7-22(19)18-28/h3-12,14,16,24H,2,13,15,17-18H2,1H3,(H,27,29)