N-[2-[(2,6-dimethylphenyl)amino]-2-oxidanylidene-ethyl]-N-methyl-4-oxidanylidene-3-(phenylmethyl)phthalazine-1-carboxamide

Systemtic Name: N-[2-[(2,6-dimethylphenyl)amino]-2-oxidanylidene-ethyl]-N-methyl-4-oxidanylidene-3-(phenylmethyl)phthalazine-1-carboxamide Openeye Name: 3-benzyl-N-[2-(2,6-dimethylanilino)-2-oxo-ethyl]-N-methyl-4-oxo-phthalazine-1-carboxamide CAS Name: N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methyl-4-oxo-3-(phenylmethyl)-1-phthalazinecarboxamide IUPAC Name: 3-benzyl-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methyl-4-oxophthalazine-1-carboxamide Traditional Name: 3-benzyl-N-[2-(2,6-dimethylanilino)-2-keto-ethyl]-4-keto-N-methyl-phthalazine-1-carboxamide Formula: C27H26N4O3 MolecularWeight: 454.52034

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H26N4O3/c1-18-10-9-11-19(2)24(18)28-23(32)17-30(3)27(34)25-21-14-7-8-15-22(21)26(33)31(29-25)16-20-12-5-4-6-13-20/h4-15H,16-17H2,1-3H3,(H,28,32)