4-oxidanylidene-3-(phenylmethyl)-N-[(4-pyrrolidin-1-ylcarbonylphenyl)methyl]phthalazine-1-carboxamide

Systemtic Name: 4-oxidanylidene-3-(phenylmethyl)-N-[(4-pyrrolidin-1-ylcarbonylphenyl)methyl]phthalazine-1-carboxamide Openeye Name: 3-benzyl-4-oxo-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]phthalazine-1-carboxamide CAS Name: 4-oxo-N-[[4-[oxo(1-pyrrolidinyl)methyl]phenyl]methyl]-3-(phenylmethyl)-1-phthalazinecarboxamide IUPAC Name: 3-benzyl-4-oxo-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]phthalazine-1-carboxamide Traditional Name: 3-benzyl-4-keto-N-[4-(pyrrolidine-1-carbonyl)benzyl]phthalazine-1-carboxamide Formula: C28H26N4O3 MolecularWeight: 466.53104

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)C2=CC=C(C=C2)CNC(=O)C3=NN(C(=O)C4=CC=CC=C43)CC5=CC=CC=C5

Isomeric SMILES

C1CCN(C1)C(=O)C2=CC=C(C=C2)CNC(=O)C3=NN(C(=O)C4=CC=CC=C43)CC5=CC=CC=C5

InChI

InChI=1S/C28H26N4O3/c33-26(29-18-20-12-14-22(15-13-20)27(34)31-16-6-7-17-31)25-23-10-4-5-11-24(23)28(35)32(30-25)19-21-8-2-1-3-9-21/h1-5,8-15H,6-7,16-19H2,(H,29,33)