[2-[[4-(azepan-1-yl)phenyl]amino]-2-oxidanylidene-ethyl] 4-oxidanylidene-3H-phthalazine-1-carboxylate

Systemtic Name: [2-[[4-(azepan-1-yl)phenyl]amino]-2-oxidanylidene-ethyl] 4-oxidanylidene-3H-phthalazine-1-carboxylate Openeye Name: [2-[4-(azepan-1-yl)anilino]-2-oxo-ethyl] 4-oxo-3H-phthalazine-1-carboxylate CAS Name: 4-oxo-3H-phthalazine-1-carboxylic acid [2-[4-(1-azepanyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-[4-(azepan-1-yl)anilino]-2-oxoethyl] 4-oxo-3H-phthalazine-1-carboxylate Traditional Name: 4-keto-3H-phthalazine-1-carboxylic acid [2-[4-(azepan-1-yl)anilino]-2-keto-ethyl] ester Formula: C23H24N4O4 MolecularWeight: 420.46106

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=CC=C(C=C2)NC(=O)COC(=O)C3=NNC(=O)C4=CC=CC=C43

Isomeric SMILES

C1CCCN(CC1)C2=CC=C(C=C2)NC(=O)COC(=O)C3=NNC(=O)C4=CC=CC=C43

InChI

InChI=1S/C23H24N4O4/c28-20(24-16-9-11-17(12-10-16)27-13-5-1-2-6-14-27)15-31-23(30)21-18-7-3-4-8-19(18)22(29)26-25-21/h3-4,7-12H,1-2,5-6,13-15H2,(H,24,28)(H,26,29)