N-[(E)-(3-methoxy-4-propoxy-phenyl)methylideneamino]-3-methyl-4-oxidanylidene-phthalazine-1-carboxamide

Systemtic Name: N-[(E)-(3-methoxy-4-propoxy-phenyl)methylideneamino]-3-methyl-4-oxidanylidene-phthalazine-1-carboxamide Openeye Name: N-[(E)-(3-methoxy-4-propoxy-phenyl)methyleneamino]-3-methyl-4-oxo-phthalazine-1-carboxamide CAS Name: N-[(E)-(3-methoxy-4-propoxyphenyl)methylideneamino]-3-methyl-4-oxo-1-phthalazinecarboxamide IUPAC Name: N-[(E)-(3-methoxy-4-propoxyphenyl)methylideneamino]-3-methyl-4-oxophthalazine-1-carboxamide Traditional Name: 4-keto-N-[(E)-(3-methoxy-4-propoxy-benzylidene)amino]-3-methyl-phthalazine-1-carboxamide Formula: C21H22N4O4 MolecularWeight: 394.42378

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1)C=NNC(=O)C2=NN(C(=O)C3=CC=CC=C32)C)OC

Isomeric SMILES

CCCOC1=C(C=C(C=C1)/C=N/NC(=O)C2=NN(C(=O)C3=CC=CC=C32)C)OC

InChI

InChI=1S/C21H22N4O4/c1-4-11-29-17-10-9-14(12-18(17)28-3)13-22-23-20(26)19-15-7-5-6-8-16(15)21(27)25(2)24-19/h5-10,12-13H,4,11H2,1-3H3,(H,23,26)/b22-13+