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

Systemtic Name: cyclohexyl 4-oxidanylidene-3-(phenylmethyl)phthalazine-1-carboxylate Openeye Name: cyclohexyl 3-benzyl-4-oxo-phthalazine-1-carboxylate CAS Name: 4-oxo-3-(phenylmethyl)-1-phthalazinecarboxylic acid cyclohexyl ester IUPAC Name: cyclohexyl 3-benzyl-4-oxophthalazine-1-carboxylate Traditional Name: 3-benzyl-4-keto-phthalazine-1-carboxylic acid cyclohexyl ester Formula: C22H22N2O3 MolecularWeight: 362.42168

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)OC(=O)C2=NN(C(=O)C3=CC=CC=C32)CC4=CC=CC=C4

Isomeric SMILES

C1CCC(CC1)OC(=O)C2=NN(C(=O)C3=CC=CC=C32)CC4=CC=CC=C4

InChI

InChI=1S/C22H22N2O3/c25-21-19-14-8-7-13-18(19)20(22(26)27-17-11-5-2-6-12-17)23-24(21)15-16-9-3-1-4-10-16/h1,3-4,7-10,13-14,17H,2,5-6,11-12,15H2