2-[(E)-2-(3-chloranyl-5-methoxy-4-prop-2-ynoxy-phenyl)ethenyl]-1H-quinazolin-4-one

Systemtic Name: 2-[(E)-2-(3-chloranyl-5-methoxy-4-prop-2-ynoxy-phenyl)ethenyl]-1H-quinazolin-4-one Openeye Name: 2-[(E)-2-(3-chloro-5-methoxy-4-prop-2-ynoxy-phenyl)vinyl]-1H-quinazolin-4-one CAS Name: 2-[(E)-2-(3-chloro-5-methoxy-4-prop-2-ynoxyphenyl)ethenyl]-1H-quinazolin-4-one IUPAC Name: 2-[(E)-2-(3-chloro-5-methoxy-4-prop-2-ynoxyphenyl)ethenyl]-1H-quinazolin-4-one Traditional Name: 2-[(E)-2-(3-chloro-5-methoxy-4-propargyloxy-phenyl)vinyl]-1H-quinazolin-4-one Formula: C20H15ClN2O3 MolecularWeight: 366.7977

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C=CC2=NC(=O)C3=CC=CC=C3N2)Cl)OCC#C

Isomeric SMILES

COC1=C(C(=CC(=C1)/C=C/C2=NC(=O)C3=CC=CC=C3N2)Cl)OCC#C

InChI

InChI=1S/C20H15ClN2O3/c1-3-10-26-19-15(21)11-13(12-17(19)25-2)8-9-18-22-16-7-5-4-6-14(16)20(24)23-18/h1,4-9,11-12H,10H2,2H3,(H,22,23,24)/b9-8+