2-[6-(isoquinolin-1-ylcarbonylamino)-3-methyl-7-oxidanylidene-5,6-dihydro-2H-azepin-1-yl]ethanoic acid

Systemtic Name: 2-[6-(isoquinolin-1-ylcarbonylamino)-3-methyl-7-oxidanylidene-5,6-dihydro-2H-azepin-1-yl]ethanoic acid Openeye Name: 2-[6-(isoquinoline-1-carbonylamino)-3-methyl-7-oxo-5,6-dihydro-2H-azepin-1-yl]acetic acid CAS Name: 2-[6-[[1-isoquinolinyl(oxo)methyl]amino]-3-methyl-7-oxo-5,6-dihydro-2H-azepin-1-yl]acetic acid IUPAC Name: 2-[6-(isoquinoline-1-carbonylamino)-3-methyl-7-oxo-5,6-dihydro-2H-azepin-1-yl]acetic acid Traditional Name: 2-[6-(isoquinoline-1-carbonylamino)-7-keto-3-methyl-5,6-dihydro-2H-azepin-1-yl]acetic acid Formula: C19H19N3O4 MolecularWeight: 353.37186

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CCC(C(=O)N(C1)CC(=O)O)NC(=O)C2=NC=CC3=CC=CC=C32

Isomeric SMILES

CC1=CCC(C(=O)N(C1)CC(=O)O)NC(=O)C2=NC=CC3=CC=CC=C32

InChI

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