4-[(3-bromanyl-5-methoxy-4-prop-2-ynoxy-phenyl)methylideneamino]-1,5-dimethyl-2-phenyl-pyrazol-3-one

Systemtic Name: 4-[(3-bromanyl-5-methoxy-4-prop-2-ynoxy-phenyl)methylideneamino]-1,5-dimethyl-2-phenyl-pyrazol-3-one Openeye Name: 4-[(3-bromo-5-methoxy-4-prop-2-ynoxy-phenyl)methyleneamino]-1,5-dimethyl-2-phenyl-pyrazol-3-one CAS Name: 4-[(3-bromo-5-methoxy-4-prop-2-ynoxyphenyl)methylideneamino]-1,5-dimethyl-2-phenyl-3-pyrazolone IUPAC Name: 4-[(3-bromo-5-methoxy-4-prop-2-ynoxyphenyl)methylideneamino]-1,5-dimethyl-2-phenylpyrazol-3-one Traditional Name: 4-[(3-bromo-5-methoxy-4-propargyloxy-benzylidene)amino]-1,5-dimethyl-2-phenyl-3-pyrazolin-3-one Formula: C22H20BrN3O3 MolecularWeight: 454.3165

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N=CC3=CC(=C(C(=C3)Br)OCC#C)OC

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N=CC3=CC(=C(C(=C3)Br)OCC#C)OC

InChI

InChI=1S/C22H20BrN3O3/c1-5-11-29-21-18(23)12-16(13-19(21)28-4)14-24-20-15(2)25(3)26(22(20)27)17-9-7-6-8-10-17/h1,6-10,12-14H,11H2,2-4H3