3-[4-[2-(4-bromophenyl)ethanoyl]-1-(phenylmethyl)pyrrolidin-3-yl]benzenecarbonitrile

Systemtic Name: 3-[4-[2-(4-bromophenyl)ethanoyl]-1-(phenylmethyl)pyrrolidin-3-yl]benzenecarbonitrile Openeye Name: 3-[1-benzyl-4-[2-(4-bromophenyl)acetyl]pyrrolidin-3-yl]benzonitrile CAS Name: 3-[4-[2-(4-bromophenyl)-1-oxoethyl]-1-(phenylmethyl)-3-pyrrolidinyl]benzonitrile IUPAC Name: 3-[1-benzyl-4-[2-(4-bromophenyl)acetyl]pyrrolidin-3-yl]benzonitrile Traditional Name: 3-[1-benzyl-4-[2-(4-bromophenyl)acetyl]pyrrolidin-3-yl]benzonitrile Formula: C26H23BrN2O MolecularWeight: 459.37762

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(CN1CC2=CC=CC=C2)C(=O)CC3=CC=C(C=C3)Br)C4=CC=CC(=C4)C#N

Isomeric SMILES

C1C(C(CN1CC2=CC=CC=C2)C(=O)CC3=CC=C(C=C3)Br)C4=CC=CC(=C4)C#N

InChI

InChI=1S/C26H23BrN2O/c27-23-11-9-19(10-12-23)14-26(30)25-18-29(16-20-5-2-1-3-6-20)17-24(25)22-8-4-7-21(13-22)15-28/h1-13,24-25H,14,16-18H2