N-[4-methoxy-3-(2-oxidanylidenepyrrolidin-1-yl)phenyl]-4-oxidanylidene-3-(phenylmethyl)phthalazine-1-carboxamide

Systemtic Name: N-[4-methoxy-3-(2-oxidanylidenepyrrolidin-1-yl)phenyl]-4-oxidanylidene-3-(phenylmethyl)phthalazine-1-carboxamide Openeye Name: 3-benzyl-N-[4-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]-4-oxo-phthalazine-1-carboxamide CAS Name: N-[4-methoxy-3-(2-oxo-1-pyrrolidinyl)phenyl]-4-oxo-3-(phenylmethyl)-1-phthalazinecarboxamide IUPAC Name: 3-benzyl-N-[4-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]-4-oxophthalazine-1-carboxamide Traditional Name: 3-benzyl-4-keto-N-[3-(2-ketopyrrolidino)-4-methoxy-phenyl]phthalazine-1-carboxamide Formula: C27H24N4O4 MolecularWeight: 468.50386

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC(=O)C2=NN(C(=O)C3=CC=CC=C32)CC4=CC=CC=C4)N5CCCC5=O

Isomeric SMILES

COC1=C(C=C(C=C1)NC(=O)C2=NN(C(=O)C3=CC=CC=C32)CC4=CC=CC=C4)N5CCCC5=O

InChI

InChI=1S/C27H24N4O4/c1-35-23-14-13-19(16-22(23)30-15-7-12-24(30)32)28-26(33)25-20-10-5-6-11-21(20)27(34)31(29-25)17-18-8-3-2-4-9-18/h2-6,8-11,13-14,16H,7,12,15,17H2,1H3,(H,28,33)