3-[(1-azanyl-3-cyclohexyl-propan-2-yl)amino]-4-[3-[[2,4-bis(fluoranyl)phenyl]-(3-methoxypropoxy)methyl]piperidin-1-yl]cyclobut-3-ene-1,2-dione

Systemtic Name: 3-[(1-azanyl-3-cyclohexyl-propan-2-yl)amino]-4-[3-[[2,4-bis(fluoranyl)phenyl]-(3-methoxypropoxy)methyl]piperidin-1-yl]cyclobut-3-ene-1,2-dione Openeye Name: 3-[[1-(aminomethyl)-2-cyclohexyl-ethyl]amino]-4-[3-[(2,4-difluorophenyl)-(3-methoxypropoxy)methyl]-1-piperidyl]cyclobut-3-ene-1,2-dione CAS Name: 3-[(1-amino-3-cyclohexylpropan-2-yl)amino]-4-[3-[(2,4-difluorophenyl)-(3-methoxypropoxy)methyl]-1-piperidinyl]cyclobut-3-ene-1,2-dione IUPAC Name: 3-[(1-amino-3-cyclohexylpropan-2-yl)amino]-4-[3-[(2,4-difluorophenyl)-(3-methoxypropoxy)methyl]piperidin-1-yl]cyclobut-3-ene-1,2-dione Traditional Name: 3-[[1-(aminomethyl)-2-cyclohexyl-ethyl]amino]-4-[3-[(2,4-difluorophenyl)-(3-methoxypropoxy)methyl]piperidino]cyclobut-3-ene-1,2-quinone Formula: C29H41F2N3O4 MolecularWeight: 533.650346

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Descriptors Computed from Structure

Canonical SMILES:

COCCCOC(C1CCCN(C1)C2=C(C(=O)C2=O)NC(CC3CCCCC3)CN)C4=C(C=C(C=C4)F)F

Isomeric SMILES

COCCCOC(C1CCCN(C1)C2=C(C(=O)C2=O)NC(CC3CCCCC3)CN)C4=C(C=C(C=C4)F)F

InChI

InChI=1S/C29H41F2N3O4/c1-37-13-6-14-38-29(23-11-10-21(30)16-24(23)31)20-9-5-12-34(18-20)26-25(27(35)28(26)36)33-22(17-32)15-19-7-3-2-4-8-19/h10-11,16,19-20,22,29,33H,2-9,12-15,17-18,32H2,1H3