4-(4-bromophenyl)-2-(hydroxymethyl)-3-oxidanyl-6-pyrrolidin-1-yl-benzenecarbonitrile

Systemtic Name: 4-(4-bromophenyl)-2-(hydroxymethyl)-3-oxidanyl-6-pyrrolidin-1-yl-benzenecarbonitrile Openeye Name: 4-(4-bromophenyl)-3-hydroxy-2-(hydroxymethyl)-6-pyrrolidin-1-yl-benzonitrile CAS Name: 4-(4-bromophenyl)-3-hydroxy-2-(hydroxymethyl)-6-(1-pyrrolidinyl)benzonitrile IUPAC Name: 4-(4-bromophenyl)-3-hydroxy-2-(hydroxymethyl)-6-pyrrolidin-1-ylbenzonitrile Traditional Name: 4-(4-bromophenyl)-3-hydroxy-2-methylol-6-pyrrolidino-benzonitrile Formula: C18H17BrN2O2 MolecularWeight: 373.24378

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=C(C(=C(C(=C2)C3=CC=C(C=C3)Br)O)CO)C#N

Isomeric SMILES

C1CCN(C1)C2=C(C(=C(C(=C2)C3=CC=C(C=C3)Br)O)CO)C#N

InChI

InChI=1S/C18H17BrN2O2/c19-13-5-3-12(4-6-13)14-9-17(21-7-1-2-8-21)15(10-20)16(11-22)18(14)23/h3-6,9,22-23H,1-2,7-8,11H2