azane; bromanylbenzene; N-methyl-N-[2-(3-oxidanylpyrrolidin-1-yl)-1-phenyl-ethyl]ethanamide

Systemtic Name: azane; bromanylbenzene; N-methyl-N-[2-(3-oxidanylpyrrolidin-1-yl)-1-phenyl-ethyl]ethanamide Openeye Name: ammonia; bromobenzene; N-[2-(3-hydroxypyrrolidin-1-yl)-1-phenyl-ethyl]-N-methyl-acetamide CAS Name: ammonia; bromobenzene; N-[2-(3-hydroxy-1-pyrrolidinyl)-1-phenylethyl]-N-methylacetamide IUPAC Name: azane; bromobenzene; N-[2-(3-hydroxypyrrolidin-1-yl)-1-phenylethyl]-N-methylacetamide Traditional Name: ammonia; bromobenzene; N-[2-(3-hydroxypyrrolidino)-1-phenyl-ethyl]-N-methyl-acetamide Formula: C21H30BrN3O2 MolecularWeight: 436.3858

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N(C)C(CN1CCC(C1)O)C2=CC=CC=C2.C1=CC=C(C=C1)Br.N

Isomeric SMILES

CC(=O)N(C)C(CN1CCC(C1)O)C2=CC=CC=C2.C1=CC=C(C=C1)Br.N

InChI

InChI=1S/C15H22N2O2.C6H5Br.H3N/c1-12(18)16(2)15(13-6-4-3-5-7-13)11-17-9-8-14(19)10-17;7-6-4-2-1-3-5-6;/h3-7,14-15,19H,8-11H2,1-2H3;1-5H;1H3