3-[2-(cycloheptylamino)-2-oxidanylidene-ethyl]-4-oxidanylidene-phthalazine-1-carboxylic acid

Systemtic Name: 3-[2-(cycloheptylamino)-2-oxidanylidene-ethyl]-4-oxidanylidene-phthalazine-1-carboxylic acid Openeye Name: 3-[2-(cycloheptylamino)-2-oxo-ethyl]-4-oxo-phthalazine-1-carboxylic acid CAS Name: 3-[2-(cycloheptylamino)-2-oxoethyl]-4-oxo-1-phthalazinecarboxylic acid IUPAC Name: 3-[2-(cycloheptylamino)-2-oxoethyl]-4-oxophthalazine-1-carboxylic acid Traditional Name: 3-[2-(cycloheptylamino)-2-keto-ethyl]-4-keto-phthalazine-1-carboxylic acid Formula: C18H21N3O4 MolecularWeight: 343.37704

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CC1)NC(=O)CN2C(=O)C3=CC=CC=C3C(=N2)C(=O)O

Isomeric SMILES

C1CCCC(CC1)NC(=O)CN2C(=O)C3=CC=CC=C3C(=N2)C(=O)O

InChI

InChI=1S/C18H21N3O4/c22-15(19-12-7-3-1-2-4-8-12)11-21-17(23)14-10-6-5-9-13(14)16(20-21)18(24)25/h5-6,9-10,12H,1-4,7-8,11H2,(H,19,22)(H,24,25)