2-chloranyl-4-[[(3S)-1-methyl-5-oxidanylidene-pyrrolidin-3-yl]-[(2-methylphenyl)methyl]amino]benzenecarbonitrile

Systemtic Name: 2-chloranyl-4-[[(3S)-1-methyl-5-oxidanylidene-pyrrolidin-3-yl]-[(2-methylphenyl)methyl]amino]benzenecarbonitrile Openeye Name: 2-chloro-4-[[(3S)-1-methyl-5-oxo-pyrrolidin-3-yl]-(o-tolylmethyl)amino]benzonitrile CAS Name: 2-chloro-4-[[(3S)-1-methyl-5-oxo-3-pyrrolidinyl]-[(2-methylphenyl)methyl]amino]benzonitrile IUPAC Name: 2-chloro-4-[[(3S)-1-methyl-5-oxopyrrolidin-3-yl]-[(2-methylphenyl)methyl]amino]benzonitrile Traditional Name: 2-chloro-4-[[(3S)-5-keto-1-methyl-pyrrolidin-3-yl]-(2-methylbenzyl)amino]benzonitrile Formula: C20H20ClN3O MolecularWeight: 353.8453

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CN(C2CC(=O)N(C2)C)C3=CC(=C(C=C3)C#N)Cl

Isomeric SMILES

CC1=CC=CC=C1CN([C@H]2CC(=O)N(C2)C)C3=CC(=C(C=C3)C#N)Cl

InChI

InChI=1S/C20H20ClN3O/c1-14-5-3-4-6-16(14)12-24(18-10-20(25)23(2)13-18)17-8-7-15(11-22)19(21)9-17/h3-9,18H,10,12-13H2,1-2H3/t18-/m0/s1