[2-(2-methyl-1H-indol-3-yl)-2-oxidanylidene-ethyl] 3-[3-(4-bromophenyl)-1-phenyl-pyrazol-4-yl]prop-2-enoate

Systemtic Name: [2-(2-methyl-1H-indol-3-yl)-2-oxidanylidene-ethyl] 3-[3-(4-bromophenyl)-1-phenyl-pyrazol-4-yl]prop-2-enoate Openeye Name: [2-(2-methyl-1H-indol-3-yl)-2-oxo-ethyl] 3-[3-(4-bromophenyl)-1-phenyl-pyrazol-4-yl]prop-2-enoate CAS Name: 3-[3-(4-bromophenyl)-1-phenyl-4-pyrazolyl]-2-propenoic acid [2-(2-methyl-1H-indol-3-yl)-2-oxoethyl] ester IUPAC Name: [2-(2-methyl-1H-indol-3-yl)-2-oxoethyl] 3-[3-(4-bromophenyl)-1-phenylpyrazol-4-yl]prop-2-enoate Traditional Name: 3-[3-(4-bromophenyl)-1-phenyl-pyrazol-4-yl]acrylic acid [2-keto-2-(2-methyl-1H-indol-3-yl)ethyl] ester Formula: C29H22BrN3O3 MolecularWeight: 540.40728

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=CC=CC=C2N1)C(=O)COC(=O)C=CC3=CN(N=C3C4=CC=C(C=C4)Br)C5=CC=CC=C5

Isomeric SMILES

CC1=C(C2=CC=CC=C2N1)C(=O)COC(=O)C=CC3=CN(N=C3C4=CC=C(C=C4)Br)C5=CC=CC=C5

InChI

InChI=1S/C29H22BrN3O3/c1-19-28(24-9-5-6-10-25(24)31-19)26(34)18-36-27(35)16-13-21-17-33(23-7-3-2-4-8-23)32-29(21)20-11-14-22(30)15-12-20/h2-17,31H,18H2,1H3