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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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