[2-(azepan-1-yl)-2-oxidanylidene-ethyl] 3-(2-hydroxyethyl)-4-oxidanylidene-phthalazine-1-carboxylate

Systemtic Name: [2-(azepan-1-yl)-2-oxidanylidene-ethyl] 3-(2-hydroxyethyl)-4-oxidanylidene-phthalazine-1-carboxylate Openeye Name: [2-(azepan-1-yl)-2-oxo-ethyl] 3-(2-hydroxyethyl)-4-oxo-phthalazine-1-carboxylate CAS Name: 3-(2-hydroxyethyl)-4-oxo-1-phthalazinecarboxylic acid [2-(1-azepanyl)-2-oxoethyl] ester IUPAC Name: [2-(azepan-1-yl)-2-oxoethyl] 3-(2-hydroxyethyl)-4-oxophthalazine-1-carboxylate Traditional Name: 3-(2-hydroxyethyl)-4-keto-phthalazine-1-carboxylic acid [2-(azepan-1-yl)-2-keto-ethyl] ester Formula: C19H23N3O5 MolecularWeight: 373.40302

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)COC(=O)C2=NN(C(=O)C3=CC=CC=C32)CCO

Isomeric SMILES

C1CCCN(CC1)C(=O)COC(=O)C2=NN(C(=O)C3=CC=CC=C32)CCO

InChI

InChI=1S/C19H23N3O5/c23-12-11-22-18(25)15-8-4-3-7-14(15)17(20-22)19(26)27-13-16(24)21-9-5-1-2-6-10-21/h3-4,7-8,23H,1-2,5-6,9-13H2