N-[(Z)-(3-chloranyl-5-methoxy-4-prop-2-ynoxy-phenyl)methylideneamino]-4-oxidanylidene-3H-phthalazine-1-carboxamide

Systemtic Name: N-[(Z)-(3-chloranyl-5-methoxy-4-prop-2-ynoxy-phenyl)methylideneamino]-4-oxidanylidene-3H-phthalazine-1-carboxamide Openeye Name: N-[(Z)-(3-chloro-5-methoxy-4-prop-2-ynoxy-phenyl)methyleneamino]-4-oxo-3H-phthalazine-1-carboxamide CAS Name: N-[(Z)-(3-chloro-5-methoxy-4-prop-2-ynoxyphenyl)methylideneamino]-4-oxo-3H-phthalazine-1-carboxamide IUPAC Name: N-[(Z)-(3-chloro-5-methoxy-4-prop-2-ynoxyphenyl)methylideneamino]-4-oxo-3H-phthalazine-1-carboxamide Traditional Name: N-[(Z)-(3-chloro-5-methoxy-4-propargyloxy-benzylidene)amino]-4-keto-3H-phthalazine-1-carboxamide Formula: C20H15ClN4O4 MolecularWeight: 410.8105

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C=NNC(=O)C2=NNC(=O)C3=CC=CC=C32)Cl)OCC#C

Isomeric SMILES

COC1=C(C(=CC(=C1)/C=N\NC(=O)C2=NNC(=O)C3=CC=CC=C32)Cl)OCC#C

InChI

InChI=1S/C20H15ClN4O4/c1-3-8-29-18-15(21)9-12(10-16(18)28-2)11-22-24-20(27)17-13-6-4-5-7-14(13)19(26)25-23-17/h1,4-7,9-11H,8H2,2H3,(H,24,27)(H,25,26)/b22-11-