methyl 2-methyl-2-[[4-oxidanylidene-3-(phenylmethyl)phthalazin-1-yl]carbonylamino]propanoate

Systemtic Name: methyl 2-methyl-2-[[4-oxidanylidene-3-(phenylmethyl)phthalazin-1-yl]carbonylamino]propanoate Openeye Name: methyl 2-[(3-benzyl-4-oxo-phthalazine-1-carbonyl)amino]-2-methyl-propanoate CAS Name: 2-methyl-2-[[oxo-[4-oxo-3-(phenylmethyl)-1-phthalazinyl]methyl]amino]propanoic acid methyl ester IUPAC Name: methyl 2-[(3-benzyl-4-oxophthalazine-1-carbonyl)amino]-2-methylpropanoate Traditional Name: 2-[(3-benzyl-4-keto-phthalazine-1-carbonyl)amino]-2-methyl-propionic acid methyl ester Formula: C21H21N3O4 MolecularWeight: 379.40914

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(=O)OC)NC(=O)C1=NN(C(=O)C2=CC=CC=C21)CC3=CC=CC=C3

Isomeric SMILES

CC(C)(C(=O)OC)NC(=O)C1=NN(C(=O)C2=CC=CC=C21)CC3=CC=CC=C3

InChI

InChI=1S/C21H21N3O4/c1-21(2,20(27)28-3)22-18(25)17-15-11-7-8-12-16(15)19(26)24(23-17)13-14-9-5-4-6-10-14/h4-12H,13H2,1-3H3,(H,22,25)