3-[2-[2,5-dimethyl-1-(phenylmethyl)pyrrol-3-yl]-2-oxidanylidene-ethyl]-4-oxidanylidene-phthalazine-1-carboxylate

Systemtic Name: 3-[2-[2,5-dimethyl-1-(phenylmethyl)pyrrol-3-yl]-2-oxidanylidene-ethyl]-4-oxidanylidene-phthalazine-1-carboxylate Openeye Name: 3-[2-(1-benzyl-2,5-dimethyl-pyrrol-3-yl)-2-oxo-ethyl]-4-oxo-phthalazine-1-carboxylate CAS Name: 3-[2-[2,5-dimethyl-1-(phenylmethyl)-3-pyrrolyl]-2-oxoethyl]-4-oxo-1-phthalazinecarboxylate IUPAC Name: 3-[2-(1-benzyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl]-4-oxophthalazine-1-carboxylate Traditional Name: 3-[2-(1-benzyl-2,5-dimethyl-pyrrol-3-yl)-2-keto-ethyl]-4-keto-phthalazine-1-carboxylate Formula: C24H20N3O4- MolecularWeight: 414.4333

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CC2=CC=CC=C2)C)C(=O)CN3C(=O)C4=CC=CC=C4C(=N3)C(=O)[O-]

Isomeric SMILES

CC1=CC(=C(N1CC2=CC=CC=C2)C)C(=O)CN3C(=O)C4=CC=CC=C4C(=N3)C(=O)[O-]

InChI

InChI=1S/C24H21N3O4/c1-15-12-20(16(2)26(15)13-17-8-4-3-5-9-17)21(28)14-27-23(29)19-11-7-6-10-18(19)22(25-27)24(30)31/h3-12H,13-14H2,1-2H3,(H,30,31)/p-1