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

Systemtic Name: methyl 2-[6-(isoquinolin-1-ylcarbonylamino)-3-methyl-7-oxidanylidene-5,6-dihydro-2H-azepin-1-yl]ethanoate Openeye Name: methyl 2-[6-(isoquinoline-1-carbonylamino)-3-methyl-7-oxo-5,6-dihydro-2H-azepin-1-yl]acetate CAS Name: 2-[6-[[1-isoquinolinyl(oxo)methyl]amino]-3-methyl-7-oxo-5,6-dihydro-2H-azepin-1-yl]acetic acid methyl ester IUPAC Name: methyl 2-[6-(isoquinoline-1-carbonylamino)-3-methyl-7-oxo-5,6-dihydro-2H-azepin-1-yl]acetate Traditional Name: 2-[6-(isoquinoline-1-carbonylamino)-7-keto-3-methyl-5,6-dihydro-2H-azepin-1-yl]acetic acid methyl ester Formula: C20H21N3O4 MolecularWeight: 367.39844

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21N3O4/c1-13-7-8-16(20(26)23(11-13)12-17(24)27-2)22-19(25)18-15-6-4-3-5-14(15)9-10-21-18/h3-7,9-10,16H,8,11-12H2,1-2H3,(H,22,25)