N-[(1R,2R)-2-(azetidin-1-yl)-4,4-diethoxy-cyclohexyl]-4-bromanyl-N-methyl-benzamide

Systemtic Name: N-[(1R,2R)-2-(azetidin-1-yl)-4,4-diethoxy-cyclohexyl]-4-bromanyl-N-methyl-benzamide Openeye Name: N-[(1R,2R)-2-(azetidin-1-yl)-4,4-diethoxy-cyclohexyl]-4-bromo-N-methyl-benzamide CAS Name: N-[(1R,2R)-2-(1-azetidinyl)-4,4-diethoxycyclohexyl]-4-bromo-N-methylbenzamide IUPAC Name: N-[(1R,2R)-2-(azetidin-1-yl)-4,4-diethoxycyclohexyl]-4-bromo-N-methylbenzamide Traditional Name: N-[(1R,2R)-2-(azetidin-1-yl)-4,4-diethoxy-cyclohexyl]-4-bromo-N-methyl-benzamide Formula: C21H31BrN2O3 MolecularWeight: 439.38644

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1(CCC(C(C1)N2CCC2)N(C)C(=O)C3=CC=C(C=C3)Br)OCC

Isomeric SMILES

CCOC1(CC[C@H]([C@@H](C1)N2CCC2)N(C)C(=O)C3=CC=C(C=C3)Br)OCC

InChI

InChI=1S/C21H31BrN2O3/c1-4-26-21(27-5-2)12-11-18(19(15-21)24-13-6-14-24)23(3)20(25)16-7-9-17(22)10-8-16/h7-10,18-19H,4-6,11-15H2,1-3H3/t18-,19-/m1/s1