[1-[(3-cyanophenyl)amino]-1-oxidanylidene-propan-2-yl] 4-oxidanylidene-3-(phenylmethyl)phthalazine-1-carboxylate

Systemtic Name: [1-[(3-cyanophenyl)amino]-1-oxidanylidene-propan-2-yl] 4-oxidanylidene-3-(phenylmethyl)phthalazine-1-carboxylate Openeye Name: [2-(3-cyanoanilino)-1-methyl-2-oxo-ethyl] 3-benzyl-4-oxo-phthalazine-1-carboxylate CAS Name: 4-oxo-3-(phenylmethyl)-1-phthalazinecarboxylic acid [1-(3-cyanoanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(3-cyanoanilino)-1-oxopropan-2-yl] 3-benzyl-4-oxophthalazine-1-carboxylate Traditional Name: 3-benzyl-4-keto-phthalazine-1-carboxylic acid [2-(3-cyanoanilino)-2-keto-1-methyl-ethyl] ester Formula: C26H20N4O4 MolecularWeight: 452.4614

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC(=C1)C#N)OC(=O)C2=NN(C(=O)C3=CC=CC=C32)CC4=CC=CC=C4

Isomeric SMILES

CC(C(=O)NC1=CC=CC(=C1)C#N)OC(=O)C2=NN(C(=O)C3=CC=CC=C32)CC4=CC=CC=C4

InChI

InChI=1S/C26H20N4O4/c1-17(24(31)28-20-11-7-10-19(14-20)15-27)34-26(33)23-21-12-5-6-13-22(21)25(32)30(29-23)16-18-8-3-2-4-9-18/h2-14,17H,16H2,1H3,(H,28,31)