N-[(Z)-1-(4-chlorophenyl)butylideneamino]-4-oxidanylidene-3H-phthalazine-1-carboxamide

Systemtic Name: N-[(Z)-1-(4-chlorophenyl)butylideneamino]-4-oxidanylidene-3H-phthalazine-1-carboxamide Openeye Name: N-[(Z)-1-(4-chlorophenyl)butylideneamino]-4-oxo-3H-phthalazine-1-carboxamide CAS Name: N-[(Z)-1-(4-chlorophenyl)butylideneamino]-4-oxo-3H-phthalazine-1-carboxamide IUPAC Name: N-[(Z)-1-(4-chlorophenyl)butylideneamino]-4-oxo-3H-phthalazine-1-carboxamide Traditional Name: N-[(Z)-1-(4-chlorophenyl)butylideneamino]-4-keto-3H-phthalazine-1-carboxamide Formula: C19H17ClN4O2 MolecularWeight: 368.81688

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=NNC(=O)C1=NNC(=O)C2=CC=CC=C21)C3=CC=C(C=C3)Cl

Isomeric SMILES

CCC/C(=N/NC(=O)C1=NNC(=O)C2=CC=CC=C21)/C3=CC=C(C=C3)Cl

InChI

InChI=1S/C19H17ClN4O2/c1-2-5-16(12-8-10-13(20)11-9-12)21-24-19(26)17-14-6-3-4-7-15(14)18(25)23-22-17/h3-4,6-11H,2,5H2,1H3,(H,23,25)(H,24,26)/b21-16-