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

Systemtic Name: 1-[5-[[4-bromanyl-2-(1H-pyrazol-5-yl)phenoxy]methyl]pyrrolidin-2-yl]carbonylpyrrolidine-2-carbonitrile Openeye Name: 1-[5-[[4-bromo-2-(1H-pyrazol-5-yl)phenoxy]methyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonitrile CAS Name: 1-[[5-[[4-bromo-2-(1H-pyrazol-5-yl)phenoxy]methyl]-2-pyrrolidinyl]-oxomethyl]-2-pyrrolidinecarbonitrile IUPAC Name: 1-[5-[[4-bromo-2-(1H-pyrazol-5-yl)phenoxy]methyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonitrile Traditional Name: 1-[5-[[4-bromo-2-(1H-pyrazol-5-yl)phenoxy]methyl]prolyl]pyrrolidine-2-carbonitrile Formula: C20H22BrN5O2 MolecularWeight: 444.32498

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)C2CCC(N2)COC3=C(C=C(C=C3)Br)C4=CC=NN4)C#N

Isomeric SMILES

C1CC(N(C1)C(=O)C2CCC(N2)COC3=C(C=C(C=C3)Br)C4=CC=NN4)C#N

InChI

InChI=1S/C20H22BrN5O2/c21-13-3-6-19(16(10-13)17-7-8-23-25-17)28-12-14-4-5-18(24-14)20(27)26-9-1-2-15(26)11-22/h3,6-8,10,14-15,18,24H,1-2,4-5,9,12H2,(H,23,25)