N-[(Z)-1-(1,3-benzodioxol-5-yl)ethylideneamino]-4-oxidanylidene-3-(phenylmethyl)phthalazine-1-carboxamide

Systemtic Name: N-[(Z)-1-(1,3-benzodioxol-5-yl)ethylideneamino]-4-oxidanylidene-3-(phenylmethyl)phthalazine-1-carboxamide Openeye Name: N-[(Z)-1-(1,3-benzodioxol-5-yl)ethylideneamino]-3-benzyl-4-oxo-phthalazine-1-carboxamide CAS Name: N-[(Z)-1-(1,3-benzodioxol-5-yl)ethylideneamino]-4-oxo-3-(phenylmethyl)-1-phthalazinecarboxamide IUPAC Name: N-[(Z)-1-(1,3-benzodioxol-5-yl)ethylideneamino]-3-benzyl-4-oxophthalazine-1-carboxamide Traditional Name: N-[(Z)-1-(1,3-benzodioxol-5-yl)ethylideneamino]-3-benzyl-4-keto-phthalazine-1-carboxamide Formula: C25H20N4O4 MolecularWeight: 440.4507

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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=CC5=C(C=C4)OCO5

Isomeric SMILES

C/C(=N/NC(=O)C1=NN(C(=O)C2=CC=CC=C21)CC3=CC=CC=C3)/C4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C25H20N4O4/c1-16(18-11-12-21-22(13-18)33-15-32-21)26-27-24(30)23-19-9-5-6-10-20(19)25(31)29(28-23)14-17-7-3-2-4-8-17/h2-13H,14-15H2,1H3,(H,27,30)/b26-16-