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

Systemtic Name: N-[(E)-1-(4-methoxyphenyl)ethylideneamino]-4-oxidanylidene-3-(phenylmethyl)phthalazine-1-carboxamide Openeye Name: 3-benzyl-N-[(E)-1-(4-methoxyphenyl)ethylideneamino]-4-oxo-phthalazine-1-carboxamide CAS Name: N-[(E)-1-(4-methoxyphenyl)ethylideneamino]-4-oxo-3-(phenylmethyl)-1-phthalazinecarboxamide IUPAC Name: 3-benzyl-N-[(E)-1-(4-methoxyphenyl)ethylideneamino]-4-oxophthalazine-1-carboxamide Traditional Name: 3-benzyl-4-keto-N-[(E)-1-(4-methoxyphenyl)ethylideneamino]phthalazine-1-carboxamide Formula: C25H22N4O3 MolecularWeight: 426.46718

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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)OC

Isomeric SMILES

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

InChI

InChI=1S/C25H22N4O3/c1-17(19-12-14-20(32-2)15-13-19)26-27-24(30)23-21-10-6-7-11-22(21)25(31)29(28-23)16-18-8-4-3-5-9-18/h3-15H,16H2,1-2H3,(H,27,30)/b26-17+