4-oxidanylidene-N-[(Z)-(4-pentoxyphenyl)methylideneamino]-3H-phthalazine-1-carboxamide

Systemtic Name: 4-oxidanylidene-N-[(Z)-(4-pentoxyphenyl)methylideneamino]-3H-phthalazine-1-carboxamide Openeye Name: 4-oxo-N-[(Z)-(4-pentoxyphenyl)methyleneamino]-3H-phthalazine-1-carboxamide CAS Name: 4-oxo-N-[(Z)-(4-pentoxyphenyl)methylideneamino]-3H-phthalazine-1-carboxamide IUPAC Name: 4-oxo-N-[(Z)-(4-pentoxyphenyl)methylideneamino]-3H-phthalazine-1-carboxamide Traditional Name: N-[(Z)-(4-amoxybenzylidene)amino]-4-keto-3H-phthalazine-1-carboxamide Formula: C21H22N4O3 MolecularWeight: 378.42438

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=CC=C(C=C1)C=NNC(=O)C2=NNC(=O)C3=CC=CC=C32

Isomeric SMILES

CCCCCOC1=CC=C(C=C1)/C=N\NC(=O)C2=NNC(=O)C3=CC=CC=C32

InChI

InChI=1S/C21H22N4O3/c1-2-3-6-13-28-16-11-9-15(10-12-16)14-22-24-21(27)19-17-7-4-5-8-18(17)20(26)25-23-19/h4-5,7-12,14H,2-3,6,13H2,1H3,(H,24,27)(H,25,26)/b22-14-