4-(2-bromanyl-4,5-dimethoxy-phenyl)-1-(phenylmethyl)pyrrolidine-3-carbonitrile

Systemtic Name: 4-(2-bromanyl-4,5-dimethoxy-phenyl)-1-(phenylmethyl)pyrrolidine-3-carbonitrile Openeye Name: 1-benzyl-4-(2-bromo-4,5-dimethoxy-phenyl)pyrrolidine-3-carbonitrile CAS Name: 4-(2-bromo-4,5-dimethoxyphenyl)-1-(phenylmethyl)-3-pyrrolidinecarbonitrile IUPAC Name: 1-benzyl-4-(2-bromo-4,5-dimethoxyphenyl)pyrrolidine-3-carbonitrile Traditional Name: 1-benzyl-4-(2-bromo-4,5-dimethoxy-phenyl)pyrrolidine-3-carbonitrile Formula: C20H21BrN2O2 MolecularWeight: 401.29694

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)C2CN(CC2C#N)CC3=CC=CC=C3)Br)OC

Isomeric SMILES

COC1=C(C=C(C(=C1)C2CN(CC2C#N)CC3=CC=CC=C3)Br)OC

InChI

InChI=1S/C20H21BrN2O2/c1-24-19-8-16(18(21)9-20(19)25-2)17-13-23(12-15(17)10-22)11-14-6-4-3-5-7-14/h3-9,15,17H,11-13H2,1-2H3