2-[2-bromanyl-4-[[(3-chloranyl-4-pyrrolidin-1-yl-phenyl)amino]methyl]-6-methoxy-phenoxy]-1-piperidin-1-yl-ethanone

Systemtic Name: 2-[2-bromanyl-4-[[(3-chloranyl-4-pyrrolidin-1-yl-phenyl)amino]methyl]-6-methoxy-phenoxy]-1-piperidin-1-yl-ethanone Openeye Name: 2-[2-bromo-4-[(3-chloro-4-pyrrolidin-1-yl-anilino)methyl]-6-methoxy-phenoxy]-1-(1-piperidyl)ethanone CAS Name: 2-[2-bromo-4-[[3-chloro-4-(1-pyrrolidinyl)anilino]methyl]-6-methoxyphenoxy]-1-(1-piperidinyl)ethanone IUPAC Name: 2-[2-bromo-4-[(3-chloro-4-pyrrolidin-1-ylanilino)methyl]-6-methoxyphenoxy]-1-piperidin-1-ylethanone Traditional Name: 2-[2-bromo-4-[(3-chloro-4-pyrrolidino-anilino)methyl]-6-methoxy-phenoxy]-1-piperidino-ethanone Formula: C25H31BrClN3O3 MolecularWeight: 536.88894

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)CNC2=CC(=C(C=C2)N3CCCC3)Cl)Br)OCC(=O)N4CCCCC4

Isomeric SMILES

COC1=C(C(=CC(=C1)CNC2=CC(=C(C=C2)N3CCCC3)Cl)Br)OCC(=O)N4CCCCC4

InChI

InChI=1S/C25H31BrClN3O3/c1-32-23-14-18(13-20(26)25(23)33-17-24(31)30-11-3-2-4-12-30)16-28-19-7-8-22(21(27)15-19)29-9-5-6-10-29/h7-8,13-15,28H,2-6,9-12,16-17H2,1H3