3-[2-[tert-butyl-(phenylmethyl)amino]-2-oxidanylidene-ethyl]-4-oxidanylidene-phthalazine-1-carboxylate

Systemtic Name: 3-[2-[tert-butyl-(phenylmethyl)amino]-2-oxidanylidene-ethyl]-4-oxidanylidene-phthalazine-1-carboxylate Openeye Name: 3-[2-[benzyl(tert-butyl)amino]-2-oxo-ethyl]-4-oxo-phthalazine-1-carboxylate CAS Name: 3-[2-[tert-butyl-(phenylmethyl)amino]-2-oxoethyl]-4-oxo-1-phthalazinecarboxylate IUPAC Name: 3-[2-[benzyl(tert-butyl)amino]-2-oxoethyl]-4-oxophthalazine-1-carboxylate Traditional Name: 3-[2-[benzyl(tert-butyl)amino]-2-keto-ethyl]-4-keto-phthalazine-1-carboxylate Formula: C22H22N3O4- MolecularWeight: 392.42778

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)N(CC1=CC=CC=C1)C(=O)CN2C(=O)C3=CC=CC=C3C(=N2)C(=O)[O-]

Isomeric SMILES

CC(C)(C)N(CC1=CC=CC=C1)C(=O)CN2C(=O)C3=CC=CC=C3C(=N2)C(=O)[O-]

InChI

InChI=1S/C22H23N3O4/c1-22(2,3)24(13-15-9-5-4-6-10-15)18(26)14-25-20(27)17-12-8-7-11-16(17)19(23-25)21(28)29/h4-12H,13-14H2,1-3H3,(H,28,29)/p-1