[2-[(2-cyclopentylpyrazol-3-yl)amino]-2-oxidanylidene-ethyl] (E)-3-(5-bromanylfuran-2-yl)prop-2-enoate

Systemtic Name: [2-[(2-cyclopentylpyrazol-3-yl)amino]-2-oxidanylidene-ethyl] (E)-3-(5-bromanylfuran-2-yl)prop-2-enoate Openeye Name: [2-[(2-cyclopentylpyrazol-3-yl)amino]-2-oxo-ethyl] (E)-3-(5-bromo-2-furyl)prop-2-enoate CAS Name: (E)-3-(5-bromo-2-furanyl)-2-propenoic acid [2-[(2-cyclopentyl-3-pyrazolyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(2-cyclopentylpyrazol-3-yl)amino]-2-oxoethyl] (E)-3-(5-bromofuran-2-yl)prop-2-enoate Traditional Name: (E)-3-(5-bromo-2-furyl)acrylic acid [2-[(2-cyclopentylpyrazol-3-yl)amino]-2-keto-ethyl] ester Formula: C17H18BrN3O4 MolecularWeight: 408.24652

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)N2C(=CC=N2)NC(=O)COC(=O)C=CC3=CC=C(O3)Br

Isomeric SMILES

C1CCC(C1)N2C(=CC=N2)NC(=O)COC(=O)/C=C/C3=CC=C(O3)Br

InChI

InChI=1S/C17H18BrN3O4/c18-14-7-5-13(25-14)6-8-17(23)24-11-16(22)20-15-9-10-19-21(15)12-3-1-2-4-12/h5-10,12H,1-4,11H2,(H,20,22)/b8-6+