methyl 2-[6-(isoquinolin-1-ylcarbonylamino)-7-oxidanylidene-5,6-dihydro-2H-azepin-1-yl]ethanoate

Systemtic Name: methyl 2-[6-(isoquinolin-1-ylcarbonylamino)-7-oxidanylidene-5,6-dihydro-2H-azepin-1-yl]ethanoate Openeye Name: methyl 2-[6-(isoquinoline-1-carbonylamino)-7-oxo-5,6-dihydro-2H-azepin-1-yl]acetate CAS Name: 2-[6-[[1-isoquinolinyl(oxo)methyl]amino]-7-oxo-5,6-dihydro-2H-azepin-1-yl]acetic acid methyl ester IUPAC Name: methyl 2-[6-(isoquinoline-1-carbonylamino)-7-oxo-5,6-dihydro-2H-azepin-1-yl]acetate Traditional Name: 2-[6-(isoquinoline-1-carbonylamino)-7-keto-5,6-dihydro-2H-azepin-1-yl]acetic acid methyl ester Formula: C19H19N3O4 MolecularWeight: 353.37186

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CN1CC=CCC(C1=O)NC(=O)C2=NC=CC3=CC=CC=C32

Isomeric SMILES

COC(=O)CN1CC=CCC(C1=O)NC(=O)C2=NC=CC3=CC=CC=C32

InChI

InChI=1S/C19H19N3O4/c1-26-16(23)12-22-11-5-4-8-15(19(22)25)21-18(24)17-14-7-3-2-6-13(14)9-10-20-17/h2-7,9-10,15H,8,11-12H2,1H3,(H,21,24)