3-bromanyl-3,4-bis(chloranyl)-4-(1-methylpyrrolidin-3-yl)oxy-5-(phenylmethyl)-2-pyrrolidin-3-yl-cyclohexa-1,5-diene-1-carboxamide

Systemtic Name: 3-bromanyl-3,4-bis(chloranyl)-4-(1-methylpyrrolidin-3-yl)oxy-5-(phenylmethyl)-2-pyrrolidin-3-yl-cyclohexa-1,5-diene-1-carboxamide Openeye Name: 5-benzyl-3-bromo-3,4-dichloro-4-(1-methylpyrrolidin-3-yl)oxy-2-pyrrolidin-3-yl-cyclohexa-1,5-diene-1-carboxamide CAS Name: 3-bromo-3,4-dichloro-4-[(1-methyl-3-pyrrolidinyl)oxy]-5-(phenylmethyl)-2-(3-pyrrolidinyl)-1-cyclohexa-1,5-dienecarboxamide IUPAC Name: 5-benzyl-3-bromo-3,4-dichloro-4-(1-methylpyrrolidin-3-yl)oxy-2-pyrrolidin-3-ylcyclohexa-1,5-diene-1-carboxamide Traditional Name: 5-benzyl-3-bromo-3,4-dichloro-4-(1-methylpyrrolidin-3-yl)oxy-2-pyrrolidin-3-yl-cyclohexa-1,5-diene-1-carboxamide Formula: C23H28BrCl2N3O2 MolecularWeight: 529.29732

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCC(C1)OC2(C(=CC(=C(C2(Cl)Br)C3CCNC3)C(=O)N)CC4=CC=CC=C4)Cl

Isomeric SMILES

CN1CCC(C1)OC2(C(=CC(=C(C2(Cl)Br)C3CCNC3)C(=O)N)CC4=CC=CC=C4)Cl

InChI

InChI=1S/C23H28BrCl2N3O2/c1-29-10-8-18(14-29)31-23(26)17(11-15-5-3-2-4-6-15)12-19(21(27)30)20(22(23,24)25)16-7-9-28-13-16/h2-6,12,16,18,28H,7-11,13-14H2,1H3,(H2,27,30)