N'-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-pyridin-3-yl-ethyl]-N-(3-methoxypropyl)ethanediamide

Systemtic Name: N'-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-pyridin-3-yl-ethyl]-N-(3-methoxypropyl)ethanediamide Openeye Name: N'-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(3-pyridyl)ethyl]-N-(3-methoxypropyl)oxamide CAS Name: N'-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(3-pyridinyl)ethyl]-N-(3-methoxypropyl)oxamide IUPAC Name: N'-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-pyridin-3-ylethyl]-N-(3-methoxypropyl)oxamide Traditional Name: N'-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(3-pyridyl)ethyl]-N-(3-methoxypropyl)oxamide Formula: C22H28N4O3 MolecularWeight: 396.48272

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Descriptors Computed from Structure

Canonical SMILES:

COCCCNC(=O)C(=O)NCC(C1=CN=CC=C1)N2CCC3=CC=CC=C3C2

Isomeric SMILES

COCCCNC(=O)C(=O)NCC(C1=CN=CC=C1)N2CCC3=CC=CC=C3C2

InChI

InChI=1S/C22H28N4O3/c1-29-13-5-11-24-21(27)22(28)25-15-20(18-8-4-10-23-14-18)26-12-9-17-6-2-3-7-19(17)16-26/h2-4,6-8,10,14,20H,5,9,11-13,15-16H2,1H3,(H,24,27)(H,25,28)