N-[2-(azetidin-1-yl)-5,5-diethoxy-cycloheptyl]-4-bromanyl-benzamide

Systemtic Name: N-[2-(azetidin-1-yl)-5,5-diethoxy-cycloheptyl]-4-bromanyl-benzamide Openeye Name: N-[2-(azetidin-1-yl)-5,5-diethoxy-cycloheptyl]-4-bromo-benzamide CAS Name: N-[2-(1-azetidinyl)-5,5-diethoxycycloheptyl]-4-bromobenzamide IUPAC Name: N-[2-(azetidin-1-yl)-5,5-diethoxycycloheptyl]-4-bromobenzamide Traditional Name: N-[2-(azetidin-1-yl)-5,5-diethoxy-cycloheptyl]-4-bromo-benzamide Formula: C21H31BrN2O3 MolecularWeight: 439.38644

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1(CCC(C(CC1)N2CCC2)NC(=O)C3=CC=C(C=C3)Br)OCC

Isomeric SMILES

CCOC1(CCC(C(CC1)N2CCC2)NC(=O)C3=CC=C(C=C3)Br)OCC

InChI

InChI=1S/C21H31BrN2O3/c1-3-26-21(27-4-2)12-10-18(19(11-13-21)24-14-5-15-24)23-20(25)16-6-8-17(22)9-7-16/h6-9,18-19H,3-5,10-15H2,1-2H3,(H,23,25)