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

Systemtic Name: 1-[3,4-bis(fluoranyl)phenyl]-3-[1-butyl-3a-(3,4-dimethoxyphenyl)-3,4,5,6,7,7a-hexahydro-2H-indol-6-yl]urea Openeye Name: 1-[1-butyl-3a-(3,4-dimethoxyphenyl)-3,4,5,6,7,7a-hexahydro-2H-indol-6-yl]-3-(3,4-difluorophenyl)urea CAS Name: 1-[1-butyl-3a-(3,4-dimethoxyphenyl)-3,4,5,6,7,7a-hexahydro-2H-indol-6-yl]-3-(3,4-difluorophenyl)urea IUPAC Name: 1-[1-butyl-3a-(3,4-dimethoxyphenyl)-3,4,5,6,7,7a-hexahydro-2H-indol-6-yl]-3-(3,4-difluorophenyl)urea Traditional Name: 1-[1-butyl-3a-(3,4-dimethoxyphenyl)-3,4,5,6,7,7a-hexahydro-2H-indol-6-yl]-3-(3,4-difluorophenyl)urea Formula: C27H35F2N3O3 MolecularWeight: 487.581906

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1CCC2(C1CC(CC2)NC(=O)NC3=CC(=C(C=C3)F)F)C4=CC(=C(C=C4)OC)OC

Isomeric SMILES

CCCCN1CCC2(C1CC(CC2)NC(=O)NC3=CC(=C(C=C3)F)F)C4=CC(=C(C=C4)OC)OC

InChI

InChI=1S/C27H35F2N3O3/c1-4-5-13-32-14-12-27(18-6-9-23(34-2)24(15-18)35-3)11-10-20(17-25(27)32)31-26(33)30-19-7-8-21(28)22(29)16-19/h6-9,15-16,20,25H,4-5,10-14,17H2,1-3H3,(H2,30,31,33)