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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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