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

Systemtic Name: [2-oxidanylidene-2-(3-phenylpropylamino)ethyl] 3-[3-(4-bromophenyl)-1-phenyl-pyrazol-4-yl]prop-2-enoate Openeye Name: [2-oxo-2-(3-phenylpropylamino)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-oxo-2-(3-phenylpropylamino)ethyl] ester IUPAC Name: [2-oxo-2-(3-phenylpropylamino)ethyl] 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-(3-phenylpropylamino)ethyl] ester Formula: C29H26BrN3O3 MolecularWeight: 544.43904

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCCNC(=O)COC(=O)C=CC2=CN(N=C2C3=CC=C(C=C3)Br)C4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)CCCNC(=O)COC(=O)C=CC2=CN(N=C2C3=CC=C(C=C3)Br)C4=CC=CC=C4

InChI

InChI=1S/C29H26BrN3O3/c30-25-16-13-23(14-17-25)29-24(20-33(32-29)26-11-5-2-6-12-26)15-18-28(35)36-21-27(34)31-19-7-10-22-8-3-1-4-9-22/h1-6,8-9,11-18,20H,7,10,19,21H2,(H,31,34)