ethyl 2-[[7-(pyridin-2-ylcarbonylamino)-3,4-dihydro-1H-isoquinolin-2-yl]carbonylamino]ethanoate

Systemtic Name: ethyl 2-[[7-(pyridin-2-ylcarbonylamino)-3,4-dihydro-1H-isoquinolin-2-yl]carbonylamino]ethanoate Openeye Name: ethyl 2-[[7-(pyridine-2-carbonylamino)-3,4-dihydro-1H-isoquinoline-2-carbonyl]amino]acetate CAS Name: 2-[[oxo-[7-[[oxo(2-pyridinyl)methyl]amino]-3,4-dihydro-1H-isoquinolin-2-yl]methyl]amino]acetic acid ethyl ester IUPAC Name: ethyl 2-[[7-(pyridine-2-carbonylamino)-3,4-dihydro-1H-isoquinoline-2-carbonyl]amino]acetate Traditional Name: 2-[(7-picolinamido-3,4-dihydro-1H-isoquinoline-2-carbonyl)amino]acetic acid ethyl ester Formula: C20H22N4O4 MolecularWeight: 382.41308

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CNC(=O)N1CCC2=C(C1)C=C(C=C2)NC(=O)C3=CC=CC=N3

Isomeric SMILES

CCOC(=O)CNC(=O)N1CCC2=C(C1)C=C(C=C2)NC(=O)C3=CC=CC=N3

InChI

InChI=1S/C20H22N4O4/c1-2-28-18(25)12-22-20(27)24-10-8-14-6-7-16(11-15(14)13-24)23-19(26)17-5-3-4-9-21-17/h3-7,9,11H,2,8,10,12-13H2,1H3,(H,22,27)(H,23,26)