N-[3-(2,2-dimethylpropanoylamino)phenyl]-4-oxidanylidene-3-(phenylmethyl)phthalazine-1-carboxamide

Systemtic Name: N-[3-(2,2-dimethylpropanoylamino)phenyl]-4-oxidanylidene-3-(phenylmethyl)phthalazine-1-carboxamide Openeye Name: 3-benzyl-N-[3-(2,2-dimethylpropanoylamino)phenyl]-4-oxo-phthalazine-1-carboxamide CAS Name: N-[3-[(2,2-dimethyl-1-oxopropyl)amino]phenyl]-4-oxo-3-(phenylmethyl)-1-phthalazinecarboxamide IUPAC Name: 3-benzyl-N-[3-(2,2-dimethylpropanoylamino)phenyl]-4-oxophthalazine-1-carboxamide Traditional Name: 3-benzyl-4-keto-N-[3-(pivaloylamino)phenyl]phthalazine-1-carboxamide Formula: C27H26N4O3 MolecularWeight: 454.52034

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)NC1=CC=CC(=C1)NC(=O)C2=NN(C(=O)C3=CC=CC=C32)CC4=CC=CC=C4

Isomeric SMILES

CC(C)(C)C(=O)NC1=CC=CC(=C1)NC(=O)C2=NN(C(=O)C3=CC=CC=C32)CC4=CC=CC=C4

InChI

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