N-[(Z)-(3-ethoxy-4-prop-2-ynoxy-phenyl)methylideneamino]-3-methyl-4-oxidanylidene-phthalazine-1-carboxamide

Systemtic Name: N-[(Z)-(3-ethoxy-4-prop-2-ynoxy-phenyl)methylideneamino]-3-methyl-4-oxidanylidene-phthalazine-1-carboxamide Openeye Name: N-[(Z)-(3-ethoxy-4-prop-2-ynoxy-phenyl)methyleneamino]-3-methyl-4-oxo-phthalazine-1-carboxamide CAS Name: N-[(Z)-(3-ethoxy-4-prop-2-ynoxyphenyl)methylideneamino]-3-methyl-4-oxo-1-phthalazinecarboxamide IUPAC Name: N-[(Z)-(3-ethoxy-4-prop-2-ynoxyphenyl)methylideneamino]-3-methyl-4-oxophthalazine-1-carboxamide Traditional Name: N-[(Z)-(3-ethoxy-4-propargyloxy-benzylidene)amino]-4-keto-3-methyl-phthalazine-1-carboxamide Formula: C22H20N4O4 MolecularWeight: 404.4186

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C=NNC(=O)C2=NN(C(=O)C3=CC=CC=C32)C)OCC#C

Isomeric SMILES

CCOC1=C(C=CC(=C1)/C=N\NC(=O)C2=NN(C(=O)C3=CC=CC=C32)C)OCC#C

InChI

InChI=1S/C22H20N4O4/c1-4-12-30-18-11-10-15(13-19(18)29-5-2)14-23-24-21(27)20-16-8-6-7-9-17(16)22(28)26(3)25-20/h1,6-11,13-14H,5,12H2,2-3H3,(H,24,27)/b23-14-