[1-oxidanylidene-1-[4-(phenylmethyl)piperazin-1-yl]propan-2-yl] (E)-3-quinolin-2-ylprop-2-enoate

Systemtic Name: [1-oxidanylidene-1-[4-(phenylmethyl)piperazin-1-yl]propan-2-yl] (E)-3-quinolin-2-ylprop-2-enoate Openeye Name: [2-(4-benzylpiperazin-1-yl)-1-methyl-2-oxo-ethyl] (E)-3-(2-quinolyl)prop-2-enoate CAS Name: (E)-3-(2-quinolinyl)-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-quinolin-2-ylprop-2-enoate Traditional Name: (E)-3-(2-quinolyl)acrylic acid [2-(4-benzylpiperazino)-2-keto-1-methyl-ethyl] ester Formula: C26H27N3O3 MolecularWeight: 429.51088

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCN(CC1)CC2=CC=CC=C2)OC(=O)C=CC3=NC4=CC=CC=C4C=C3

Isomeric SMILES

CC(C(=O)N1CCN(CC1)CC2=CC=CC=C2)OC(=O)/C=C/C3=NC4=CC=CC=C4C=C3

InChI

InChI=1S/C26H27N3O3/c1-20(26(31)29-17-15-28(16-18-29)19-21-7-3-2-4-8-21)32-25(30)14-13-23-12-11-22-9-5-6-10-24(22)27-23/h2-14,20H,15-19H2,1H3/b14-13+