N-[(E)-1-(4-chlorophenyl)propylideneamino]-3-ethyl-4-oxidanylidene-phthalazine-1-carboxamide

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H19ClN4O2/c1-3-17(13-9-11-14(21)12-10-13)22-23-19(26)18-15-7-5-6-8-16(15)20(27)25(4-2)24-18/h5-12H,3-4H2,1-2H3,(H,23,26)/b22-17+