[1-oxidanylidene-1-[4-(phenylmethyl)piperazin-1-yl]propan-2-yl] (E)-3-(5-bromanylfuran-2-yl)prop-2-enoate

Systemtic Name: [1-oxidanylidene-1-[4-(phenylmethyl)piperazin-1-yl]propan-2-yl] (E)-3-(5-bromanylfuran-2-yl)prop-2-enoate Openeye Name: [2-(4-benzylpiperazin-1-yl)-1-methyl-2-oxo-ethyl] (E)-3-(5-bromo-2-furyl)prop-2-enoate CAS Name: (E)-3-(5-bromo-2-furanyl)-2-propenoic acid [1-oxo-1-[4-(phenylmethyl)-1-piperazinyl]propan-2-yl] ester IUPAC Name: [1-(4-benzylpiperazin-1-yl)-1-oxopropan-2-yl] (E)-3-(5-bromofuran-2-yl)prop-2-enoate Traditional Name: (E)-3-(5-bromo-2-furyl)acrylic acid [2-(4-benzylpiperazino)-2-keto-1-methyl-ethyl] ester Formula: C21H23BrN2O4 MolecularWeight: 447.32232

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCN(CC1)CC2=CC=CC=C2)OC(=O)C=CC3=CC=C(O3)Br

Isomeric SMILES

CC(C(=O)N1CCN(CC1)CC2=CC=CC=C2)OC(=O)/C=C/C3=CC=C(O3)Br

InChI

InChI=1S/C21H23BrN2O4/c1-16(27-20(25)10-8-18-7-9-19(22)28-18)21(26)24-13-11-23(12-14-24)15-17-5-3-2-4-6-17/h2-10,16H,11-15H2,1H3/b10-8+