N-[(E)-1-(4-cyanophenyl)ethylideneamino]-4-oxidanylidene-3-(phenylmethyl)phthalazine-1-carboxamide

Systemtic Name: N-[(E)-1-(4-cyanophenyl)ethylideneamino]-4-oxidanylidene-3-(phenylmethyl)phthalazine-1-carboxamide Openeye Name: 3-benzyl-N-[(E)-1-(4-cyanophenyl)ethylideneamino]-4-oxo-phthalazine-1-carboxamide CAS Name: N-[(E)-1-(4-cyanophenyl)ethylideneamino]-4-oxo-3-(phenylmethyl)-1-phthalazinecarboxamide IUPAC Name: 3-benzyl-N-[(E)-1-(4-cyanophenyl)ethylideneamino]-4-oxophthalazine-1-carboxamide Traditional Name: 3-benzyl-N-[(E)-1-(4-cyanophenyl)ethylideneamino]-4-keto-phthalazine-1-carboxamide Formula: C25H19N5O2 MolecularWeight: 421.45066

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Descriptors Computed from Structure

Canonical SMILES:

CC(=NNC(=O)C1=NN(C(=O)C2=CC=CC=C21)CC3=CC=CC=C3)C4=CC=C(C=C4)C#N

Isomeric SMILES

C/C(=N\NC(=O)C1=NN(C(=O)C2=CC=CC=C21)CC3=CC=CC=C3)/C4=CC=C(C=C4)C#N

InChI

InChI=1S/C25H19N5O2/c1-17(20-13-11-18(15-26)12-14-20)27-28-24(31)23-21-9-5-6-10-22(21)25(32)30(29-23)16-19-7-3-2-4-8-19/h2-14H,16H2,1H3,(H,28,31)/b27-17+