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

Systemtic Name: 2-chloranyl-4-[(2-methylphenyl)methyl-[(3S)-5-oxidanylidene-1-propan-2-yl-pyrrolidin-3-yl]amino]benzenecarbonitrile Openeye Name: 2-chloro-4-[[(3S)-1-isopropyl-5-oxo-pyrrolidin-3-yl]-(o-tolylmethyl)amino]benzonitrile CAS Name: 2-chloro-4-[(2-methylphenyl)methyl-[(3S)-5-oxo-1-propan-2-yl-3-pyrrolidinyl]amino]benzonitrile IUPAC Name: 2-chloro-4-[(2-methylphenyl)methyl-[(3S)-5-oxo-1-propan-2-ylpyrrolidin-3-yl]amino]benzonitrile Traditional Name: 2-chloro-4-[[(3S)-1-isopropyl-5-keto-pyrrolidin-3-yl]-(2-methylbenzyl)amino]benzonitrile Formula: C22H24ClN3O MolecularWeight: 381.89846

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H24ClN3O/c1-15(2)25-14-20(11-22(25)27)26(13-18-7-5-4-6-16(18)3)19-9-8-17(12-24)21(23)10-19/h4-10,15,20H,11,13-14H2,1-3H3/t20-/m0/s1