1-[azanyl-[2-(3-oxidanylpyrrolidin-1-yl)-1-phenyl-ethyl]amino]propan-2-one; bromanylbenzene

Systemtic Name: 1-[azanyl-[2-(3-oxidanylpyrrolidin-1-yl)-1-phenyl-ethyl]amino]propan-2-one; bromanylbenzene Openeye Name: 1-[amino-[2-(3-hydroxypyrrolidin-1-yl)-1-phenyl-ethyl]amino]propan-2-one; bromobenzene CAS Name: 1-[amino-[2-(3-hydroxy-1-pyrrolidinyl)-1-phenylethyl]amino]-2-propanone; bromobenzene IUPAC Name: 1-[amino-[2-(3-hydroxypyrrolidin-1-yl)-1-phenylethyl]amino]propan-2-one; bromobenzene Traditional Name: 1-[amino-[2-(3-hydroxypyrrolidino)-1-phenyl-ethyl]amino]acetone; bromobenzene Formula: C21H28BrN3O2 MolecularWeight: 434.36992

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H23N3O2.C6H5Br/c1-12(19)9-18(16)15(13-5-3-2-4-6-13)11-17-8-7-14(20)10-17;7-6-4-2-1-3-5-6/h2-6,14-15,20H,7-11,16H2,1H3;1-5H