(2-morpholin-4-yl-2-oxidanylidene-ethyl) (E)-3-[3-(4-bromophenyl)-1-phenyl-pyrazol-4-yl]prop-2-enoate

Systemtic Name: (2-morpholin-4-yl-2-oxidanylidene-ethyl) (E)-3-[3-(4-bromophenyl)-1-phenyl-pyrazol-4-yl]prop-2-enoate Openeye Name: (2-morpholino-2-oxo-ethyl) (E)-3-[3-(4-bromophenyl)-1-phenyl-pyrazol-4-yl]prop-2-enoate CAS Name: (E)-3-[3-(4-bromophenyl)-1-phenyl-4-pyrazolyl]-2-propenoic acid [2-(4-morpholinyl)-2-oxoethyl] ester IUPAC Name: (2-morpholin-4-yl-2-oxoethyl) (E)-3-[3-(4-bromophenyl)-1-phenylpyrazol-4-yl]prop-2-enoate Traditional Name: (E)-3-[3-(4-bromophenyl)-1-phenyl-pyrazol-4-yl]acrylic acid (2-keto-2-morpholino-ethyl) ester Formula: C24H22BrN3O4 MolecularWeight: 496.35318

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C(=O)COC(=O)C=CC2=CN(N=C2C3=CC=C(C=C3)Br)C4=CC=CC=C4

Isomeric SMILES

C1COCCN1C(=O)COC(=O)/C=C/C2=CN(N=C2C3=CC=C(C=C3)Br)C4=CC=CC=C4

InChI

InChI=1S/C24H22BrN3O4/c25-20-9-6-18(7-10-20)24-19(16-28(26-24)21-4-2-1-3-5-21)8-11-23(30)32-17-22(29)27-12-14-31-15-13-27/h1-11,16H,12-15,17H2/b11-8+