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

Systemtic Name: methyl 2-[[7-(pyridin-2-ylcarbonylamino)-3,4-dihydro-1H-isoquinolin-2-yl]carbonylamino]benzoate Openeye Name: methyl 2-[[7-(pyridine-2-carbonylamino)-3,4-dihydro-1H-isoquinoline-2-carbonyl]amino]benzoate CAS Name: 2-[[oxo-[7-[[oxo(2-pyridinyl)methyl]amino]-3,4-dihydro-1H-isoquinolin-2-yl]methyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[[7-(pyridine-2-carbonylamino)-3,4-dihydro-1H-isoquinoline-2-carbonyl]amino]benzoate Traditional Name: 2-[(7-picolinamido-3,4-dihydro-1H-isoquinoline-2-carbonyl)amino]benzoic acid methyl ester Formula: C24H22N4O4 MolecularWeight: 430.45588

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1NC(=O)N2CCC3=C(C2)C=C(C=C3)NC(=O)C4=CC=CC=N4

Isomeric SMILES

COC(=O)C1=CC=CC=C1NC(=O)N2CCC3=C(C2)C=C(C=C3)NC(=O)C4=CC=CC=N4

InChI

InChI=1S/C24H22N4O4/c1-32-23(30)19-6-2-3-7-20(19)27-24(31)28-13-11-16-9-10-18(14-17(16)15-28)26-22(29)21-8-4-5-12-25-21/h2-10,12,14H,11,13,15H2,1H3,(H,26,29)(H,27,31)