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

Systemtic Name: 4-oxidanylidene-3-(phenylmethyl)-N-(4-pyrrolidin-1-ylcarbonylphenyl)phthalazine-1-carboxamide Openeye Name: 3-benzyl-4-oxo-N-[4-(pyrrolidine-1-carbonyl)phenyl]phthalazine-1-carboxamide CAS Name: 4-oxo-N-[4-[oxo(1-pyrrolidinyl)methyl]phenyl]-3-(phenylmethyl)-1-phthalazinecarboxamide IUPAC Name: 3-benzyl-4-oxo-N-[4-(pyrrolidine-1-carbonyl)phenyl]phthalazine-1-carboxamide Traditional Name: 3-benzyl-4-keto-N-[4-(pyrrolidine-1-carbonyl)phenyl]phthalazine-1-carboxamide Formula: C27H24N4O3 MolecularWeight: 452.50446

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H24N4O3/c32-25(28-21-14-12-20(13-15-21)26(33)30-16-6-7-17-30)24-22-10-4-5-11-23(22)27(34)31(29-24)18-19-8-2-1-3-9-19/h1-5,8-15H,6-7,16-18H2,(H,28,32)