1-[3a-(3,4-dimethoxyphenyl)-1-(1-methylpiperidin-4-yl)-3,4,5,6,7,7a-hexahydro-2H-indol-6-yl]-3-[4-(trifluoromethyl)phenyl]urea

Systemtic Name: 1-[3a-(3,4-dimethoxyphenyl)-1-(1-methylpiperidin-4-yl)-3,4,5,6,7,7a-hexahydro-2H-indol-6-yl]-3-[4-(trifluoromethyl)phenyl]urea Openeye Name: 1-[3a-(3,4-dimethoxyphenyl)-1-(1-methyl-4-piperidyl)-3,4,5,6,7,7a-hexahydro-2H-indol-6-yl]-3-[4-(trifluoromethyl)phenyl]urea CAS Name: 1-[3a-(3,4-dimethoxyphenyl)-1-(1-methyl-4-piperidinyl)-3,4,5,6,7,7a-hexahydro-2H-indol-6-yl]-3-[4-(trifluoromethyl)phenyl]urea IUPAC Name: 1-[3a-(3,4-dimethoxyphenyl)-1-(1-methylpiperidin-4-yl)-3,4,5,6,7,7a-hexahydro-2H-indol-6-yl]-3-[4-(trifluoromethyl)phenyl]urea Traditional Name: 1-[3a-(3,4-dimethoxyphenyl)-1-(1-methyl-4-piperidyl)-3,4,5,6,7,7a-hexahydro-2H-indol-6-yl]-3-[4-(trifluoromethyl)phenyl]urea Formula: C30H39F3N4O3 MolecularWeight: 560.65087

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCC(CC1)N2CCC3(C2CC(CC3)NC(=O)NC4=CC=C(C=C4)C(F)(F)F)C5=CC(=C(C=C5)OC)OC

Isomeric SMILES

CN1CCC(CC1)N2CCC3(C2CC(CC3)NC(=O)NC4=CC=C(C=C4)C(F)(F)F)C5=CC(=C(C=C5)OC)OC

InChI

InChI=1S/C30H39F3N4O3/c1-36-15-11-24(12-16-36)37-17-14-29(21-6-9-25(39-2)26(18-21)40-3)13-10-23(19-27(29)37)35-28(38)34-22-7-4-20(5-8-22)30(31,32)33/h4-9,18,23-24,27H,10-17,19H2,1-3H3,(H2,34,35,38)