1-[5-[(4-bromanyl-2-tert-butyl-phenoxy)methyl]pyrrolidin-2-yl]carbonylpyrrolidine-2-carbonitrile

Systemtic Name: 1-[5-[(4-bromanyl-2-tert-butyl-phenoxy)methyl]pyrrolidin-2-yl]carbonylpyrrolidine-2-carbonitrile Openeye Name: 1-[5-[(4-bromo-2-tert-butyl-phenoxy)methyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonitrile CAS Name: 1-[[5-[(4-bromo-2-tert-butylphenoxy)methyl]-2-pyrrolidinyl]-oxomethyl]-2-pyrrolidinecarbonitrile IUPAC Name: 1-[5-[(4-bromo-2-tert-butylphenoxy)methyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonitrile Traditional Name: 1-[5-[(4-bromo-2-tert-butyl-phenoxy)methyl]prolyl]pyrrolidine-2-carbonitrile Formula: C21H28BrN3O2 MolecularWeight: 434.36992

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=C(C=CC(=C1)Br)OCC2CCC(N2)C(=O)N3CCCC3C#N

Isomeric SMILES

CC(C)(C)C1=C(C=CC(=C1)Br)OCC2CCC(N2)C(=O)N3CCCC3C#N

InChI

InChI=1S/C21H28BrN3O2/c1-21(2,3)17-11-14(22)6-9-19(17)27-13-15-7-8-18(24-15)20(26)25-10-4-5-16(25)12-23/h6,9,11,15-16,18,24H,4-5,7-8,10,13H2,1-3H3