[(1S)-1-(4-methylphenyl)ethyl] 4-oxidanylidene-3-(phenylmethyl)phthalazine-1-carboxylate

Systemtic Name: [(1S)-1-(4-methylphenyl)ethyl] 4-oxidanylidene-3-(phenylmethyl)phthalazine-1-carboxylate Openeye Name: [(1S)-1-(p-tolyl)ethyl] 3-benzyl-4-oxo-phthalazine-1-carboxylate CAS Name: 4-oxo-3-(phenylmethyl)-1-phthalazinecarboxylic acid [(1S)-1-(4-methylphenyl)ethyl] ester IUPAC Name: [(1S)-1-(4-methylphenyl)ethyl] 3-benzyl-4-oxophthalazine-1-carboxylate Traditional Name: 3-benzyl-4-keto-phthalazine-1-carboxylic acid [(1S)-1-(p-tolyl)ethyl] ester Formula: C25H22N2O3 MolecularWeight: 398.45378

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(C)OC(=O)C2=NN(C(=O)C3=CC=CC=C32)CC4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)[C@H](C)OC(=O)C2=NN(C(=O)C3=CC=CC=C32)CC4=CC=CC=C4

InChI

InChI=1S/C25H22N2O3/c1-17-12-14-20(15-13-17)18(2)30-25(29)23-21-10-6-7-11-22(21)24(28)27(26-23)16-19-8-4-3-5-9-19/h3-15,18H,16H2,1-2H3/t18-/m0/s1