3,5-bis(fluoranyl)-4-[(1-pyrrolidin-2-ylcarbonylpyrrolidin-3-yl)amino]benzenecarbonitrile hydrochloride

Systemtic Name: 3,5-bis(fluoranyl)-4-[(1-pyrrolidin-2-ylcarbonylpyrrolidin-3-yl)amino]benzenecarbonitrile hydrochloride Openeye Name: 3,5-difluoro-4-[[1-(pyrrolidine-2-carbonyl)pyrrolidin-3-yl]amino]benzonitrile hydrochloride CAS Name: 3,5-difluoro-4-[[1-[oxo(2-pyrrolidinyl)methyl]-3-pyrrolidinyl]amino]benzonitrile hydrochloride IUPAC Name: 3,5-difluoro-4-[[1-(pyrrolidine-2-carbonyl)pyrrolidin-3-yl]amino]benzonitrile hydrochloride Traditional Name: 3,5-difluoro-4-[(1-prolylpyrrolidin-3-yl)amino]benzonitrile hydrochloride Formula: C16H19ClF2N4O MolecularWeight: 356.798066

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(NC1)C(=O)N2CCC(C2)NC3=C(C=C(C=C3F)C#N)F.Cl

Isomeric SMILES

C1CC(NC1)C(=O)N2CCC(C2)NC3=C(C=C(C=C3F)C#N)F.Cl

InChI

InChI=1S/C16H18F2N4O.ClH/c17-12-6-10(8-19)7-13(18)15(12)21-11-3-5-22(9-11)16(23)14-2-1-4-20-14;/h6-7,11,14,20-21H,1-5,9H2;1H