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

Systemtic Name: N-[(Z)-1-(4-chlorophenyl)butylideneamino]-3-ethyl-4-oxidanylidene-phthalazine-1-carboxamide Openeye Name: N-[(Z)-1-(4-chlorophenyl)butylideneamino]-3-ethyl-4-oxo-phthalazine-1-carboxamide CAS Name: N-[(Z)-1-(4-chlorophenyl)butylideneamino]-3-ethyl-4-oxo-1-phthalazinecarboxamide IUPAC Name: N-[(Z)-1-(4-chlorophenyl)butylideneamino]-3-ethyl-4-oxophthalazine-1-carboxamide Traditional Name: N-[(Z)-1-(4-chlorophenyl)butylideneamino]-3-ethyl-4-keto-phthalazine-1-carboxamide Formula: C21H21ClN4O2 MolecularWeight: 396.87004

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21ClN4O2/c1-3-7-18(14-10-12-15(22)13-11-14)23-24-20(27)19-16-8-5-6-9-17(16)21(28)26(4-2)25-19/h5-6,8-13H,3-4,7H2,1-2H3,(H,24,27)/b23-18-