1-[4-[(E)-3-[4-piperidin-1-yl-6-(trifluoromethyl)quinolin-2-yl]prop-2-enoyl]phenyl]-3-(2,3,4-trimethoxyphenyl)urea

Systemtic Name: 1-[4-[(E)-3-[4-piperidin-1-yl-6-(trifluoromethyl)quinolin-2-yl]prop-2-enoyl]phenyl]-3-(2,3,4-trimethoxyphenyl)urea Openeye Name: 1-[4-[(E)-3-[4-(1-piperidyl)-6-(trifluoromethyl)-2-quinolyl]prop-2-enoyl]phenyl]-3-(2,3,4-trimethoxyphenyl)urea CAS Name: 1-[4-[(E)-1-oxo-3-[4-(1-piperidinyl)-6-(trifluoromethyl)-2-quinolinyl]prop-2-enyl]phenyl]-3-(2,3,4-trimethoxyphenyl)urea IUPAC Name: 1-[4-[(E)-3-[4-piperidin-1-yl-6-(trifluoromethyl)quinolin-2-yl]prop-2-enoyl]phenyl]-3-(2,3,4-trimethoxyphenyl)urea Traditional Name: 1-[4-[(E)-3-[4-piperidino-6-(trifluoromethyl)-2-quinolyl]acryloyl]phenyl]-3-(2,3,4-trimethoxyphenyl)urea Formula: C34H33F3N4O5 MolecularWeight: 634.64483

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C(C=C1)NC(=O)NC2=CC=C(C=C2)C(=O)C=CC3=NC4=C(C=C(C=C4)C(F)(F)F)C(=C3)N5CCCCC5)OC)OC

Isomeric SMILES

COC1=C(C(=C(C=C1)NC(=O)NC2=CC=C(C=C2)C(=O)/C=C/C3=NC4=C(C=C(C=C4)C(F)(F)F)C(=C3)N5CCCCC5)OC)OC

InChI

InChI=1S/C34H33F3N4O5/c1-44-30-16-14-27(31(45-2)32(30)46-3)40-33(43)39-23-10-7-21(8-11-23)29(42)15-12-24-20-28(41-17-5-4-6-18-41)25-19-22(34(35,36)37)9-13-26(25)38-24/h7-16,19-20H,4-6,17-18H2,1-3H3,(H2,39,40,43)/b15-12+