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

Systemtic Name: N-[(Z)-1-(4-chlorophenyl)butylideneamino]-3-methyl-4-oxidanylidene-phthalazine-1-carboxamide Openeye Name: N-[(Z)-1-(4-chlorophenyl)butylideneamino]-3-methyl-4-oxo-phthalazine-1-carboxamide CAS Name: N-[(Z)-1-(4-chlorophenyl)butylideneamino]-3-methyl-4-oxo-1-phthalazinecarboxamide IUPAC Name: N-[(Z)-1-(4-chlorophenyl)butylideneamino]-3-methyl-4-oxophthalazine-1-carboxamide Traditional Name: N-[(Z)-1-(4-chlorophenyl)butylideneamino]-4-keto-3-methyl-phthalazine-1-carboxamide Formula: C20H19ClN4O2 MolecularWeight: 382.84346

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H19ClN4O2/c1-3-6-17(13-9-11-14(21)12-10-13)22-23-19(26)18-15-7-4-5-8-16(15)20(27)25(2)24-18/h4-5,7-12H,3,6H2,1-2H3,(H,23,26)/b22-17-