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

Systemtic Name: 4-[[(3S)-1-butan-2-yl-5-oxidanylidene-pyrrolidin-3-yl]-[(2-methylphenyl)methyl]amino]-2-chloranyl-benzenecarbonitrile Openeye Name: 2-chloro-4-[o-tolylmethyl-[(3S)-5-oxo-1-sec-butyl-pyrrolidin-3-yl]amino]benzonitrile CAS Name: 4-[[(3S)-1-butan-2-yl-5-oxo-3-pyrrolidinyl]-[(2-methylphenyl)methyl]amino]-2-chlorobenzonitrile IUPAC Name: 4-[[(3S)-1-butan-2-yl-5-oxopyrrolidin-3-yl]-[(2-methylphenyl)methyl]amino]-2-chlorobenzonitrile Traditional Name: 2-chloro-4-[[(3S)-5-keto-1-sec-butyl-pyrrolidin-3-yl]-(2-methylbenzyl)amino]benzonitrile Formula: C23H26ClN3O MolecularWeight: 395.92504

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)N1CC(CC1=O)N(CC2=CC=CC=C2C)C3=CC(=C(C=C3)C#N)Cl

Isomeric SMILES

CCC(C)N1C[C@H](CC1=O)N(CC2=CC=CC=C2C)C3=CC(=C(C=C3)C#N)Cl

InChI

InChI=1S/C23H26ClN3O/c1-4-17(3)26-15-21(12-23(26)28)27(14-19-8-6-5-7-16(19)2)20-10-9-18(13-25)22(24)11-20/h5-11,17,21H,4,12,14-15H2,1-3H3/t17?,21-/m0/s1