4-oxidanylidene-3-(phenylmethyl)-N-[(E)-(4-pyrrolidin-1-ylphenyl)methylideneamino]phthalazine-1-carboxamide

Systemtic Name: 4-oxidanylidene-3-(phenylmethyl)-N-[(E)-(4-pyrrolidin-1-ylphenyl)methylideneamino]phthalazine-1-carboxamide Openeye Name: 3-benzyl-4-oxo-N-[(E)-(4-pyrrolidin-1-ylphenyl)methyleneamino]phthalazine-1-carboxamide CAS Name: 4-oxo-3-(phenylmethyl)-N-[(E)-[4-(1-pyrrolidinyl)phenyl]methylideneamino]-1-phthalazinecarboxamide IUPAC Name: 3-benzyl-4-oxo-N-[(E)-(4-pyrrolidin-1-ylphenyl)methylideneamino]phthalazine-1-carboxamide Traditional Name: 3-benzyl-4-keto-N-[(E)-(4-pyrrolidinobenzylidene)amino]phthalazine-1-carboxamide Formula: C27H25N5O2 MolecularWeight: 451.5197

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H25N5O2/c33-26(29-28-18-20-12-14-22(15-13-20)31-16-6-7-17-31)25-23-10-4-5-11-24(23)27(34)32(30-25)19-21-8-2-1-3-9-21/h1-5,8-15,18H,6-7,16-17,19H2,(H,29,33)/b28-18+