[1-(azepan-1-yl)-1-oxidanylidene-propan-2-yl] 3-methyl-4-oxidanylidene-phthalazine-1-carboxylate

Systemtic Name: [1-(azepan-1-yl)-1-oxidanylidene-propan-2-yl] 3-methyl-4-oxidanylidene-phthalazine-1-carboxylate Openeye Name: [2-(azepan-1-yl)-1-methyl-2-oxo-ethyl] 3-methyl-4-oxo-phthalazine-1-carboxylate CAS Name: 3-methyl-4-oxo-1-phthalazinecarboxylic acid [1-(1-azepanyl)-1-oxopropan-2-yl] ester IUPAC Name: [1-(azepan-1-yl)-1-oxopropan-2-yl] 3-methyl-4-oxophthalazine-1-carboxylate Traditional Name: 4-keto-3-methyl-phthalazine-1-carboxylic acid [2-(azepan-1-yl)-2-keto-1-methyl-ethyl] ester Formula: C19H23N3O4 MolecularWeight: 357.40362

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCCCCC1)OC(=O)C2=NN(C(=O)C3=CC=CC=C32)C

Isomeric SMILES

CC(C(=O)N1CCCCCC1)OC(=O)C2=NN(C(=O)C3=CC=CC=C32)C

InChI

InChI=1S/C19H23N3O4/c1-13(17(23)22-11-7-3-4-8-12-22)26-19(25)16-14-9-5-6-10-15(14)18(24)21(2)20-16/h5-6,9-10,13H,3-4,7-8,11-12H2,1-2H3