1-[1-butyl-5-(4-pyridin-2-ylpiperazin-1-yl)carbonyl-pyrrol-3-yl]-3-[4-(trifluoromethyloxy)phenyl]urea

Systemtic Name: 1-[1-butyl-5-(4-pyridin-2-ylpiperazin-1-yl)carbonyl-pyrrol-3-yl]-3-[4-(trifluoromethyloxy)phenyl]urea Openeye Name: 1-[1-butyl-5-[4-(2-pyridyl)piperazine-1-carbonyl]pyrrol-3-yl]-3-[4-(trifluoromethoxy)phenyl]urea CAS Name: 1-[1-butyl-5-[oxo-[4-(2-pyridinyl)-1-piperazinyl]methyl]-3-pyrrolyl]-3-[4-(trifluoromethoxy)phenyl]urea IUPAC Name: 1-[1-butyl-5-(4-pyridin-2-ylpiperazine-1-carbonyl)pyrrol-3-yl]-3-[4-(trifluoromethoxy)phenyl]urea Traditional Name: 1-[1-butyl-5-[4-(2-pyridyl)piperazine-1-carbonyl]pyrrol-3-yl]-3-[4-(trifluoromethoxy)phenyl]urea Formula: C26H29F3N6O3 MolecularWeight: 530.54207

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C=C(C=C1C(=O)N2CCN(CC2)C3=CC=CC=N3)NC(=O)NC4=CC=C(C=C4)OC(F)(F)F

Isomeric SMILES

CCCCN1C=C(C=C1C(=O)N2CCN(CC2)C3=CC=CC=N3)NC(=O)NC4=CC=C(C=C4)OC(F)(F)F

InChI

InChI=1S/C26H29F3N6O3/c1-2-3-12-35-18-20(32-25(37)31-19-7-9-21(10-8-19)38-26(27,28)29)17-22(35)24(36)34-15-13-33(14-16-34)23-6-4-5-11-30-23/h4-11,17-18H,2-3,12-16H2,1H3,(H2,31,32,37)