cycloheptyl 4-oxidanylidene-3-(phenylmethyl)phthalazine-1-carboxylate

Systemtic Name: cycloheptyl 4-oxidanylidene-3-(phenylmethyl)phthalazine-1-carboxylate Openeye Name: cycloheptyl 3-benzyl-4-oxo-phthalazine-1-carboxylate CAS Name: 4-oxo-3-(phenylmethyl)-1-phthalazinecarboxylic acid cycloheptyl ester IUPAC Name: cycloheptyl 3-benzyl-4-oxophthalazine-1-carboxylate Traditional Name: 3-benzyl-4-keto-phthalazine-1-carboxylic acid cycloheptyl ester Formula: C23H24N2O3 MolecularWeight: 376.44826

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CC1)OC(=O)C2=NN(C(=O)C3=CC=CC=C32)CC4=CC=CC=C4

Isomeric SMILES

C1CCCC(CC1)OC(=O)C2=NN(C(=O)C3=CC=CC=C32)CC4=CC=CC=C4

InChI

InChI=1S/C23H24N2O3/c26-22-20-15-9-8-14-19(20)21(23(27)28-18-12-6-1-2-7-13-18)24-25(22)16-17-10-4-3-5-11-17/h3-5,8-11,14-15,18H,1-2,6-7,12-13,16H2