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

Systemtic Name: N-[(Z)-(3-ethoxy-4-prop-2-ynoxy-phenyl)methylideneamino]-4-oxidanylidene-3H-phthalazine-1-carboxamide Openeye Name: N-[(Z)-(3-ethoxy-4-prop-2-ynoxy-phenyl)methyleneamino]-4-oxo-3H-phthalazine-1-carboxamide CAS Name: N-[(Z)-(3-ethoxy-4-prop-2-ynoxyphenyl)methylideneamino]-4-oxo-3H-phthalazine-1-carboxamide IUPAC Name: N-[(Z)-(3-ethoxy-4-prop-2-ynoxyphenyl)methylideneamino]-4-oxo-3H-phthalazine-1-carboxamide Traditional Name: N-[(Z)-(3-ethoxy-4-propargyloxy-benzylidene)amino]-4-keto-3H-phthalazine-1-carboxamide Formula: C21H18N4O4 MolecularWeight: 390.39202

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H18N4O4/c1-3-11-29-17-10-9-14(12-18(17)28-4-2)13-22-24-21(27)19-15-7-5-6-8-16(15)20(26)25-23-19/h1,5-10,12-13H,4,11H2,2H3,(H,24,27)(H,25,26)/b22-13-