4-[[2,5-bis(chloranyl)phenyl]methyl-[(3S)-1-[(2S)-2-oxidanylpropanoyl]pyrrolidin-3-yl]amino]-2-chloranyl-benzenecarbonitrile

Systemtic Name: 4-[[2,5-bis(chloranyl)phenyl]methyl-[(3S)-1-[(2S)-2-oxidanylpropanoyl]pyrrolidin-3-yl]amino]-2-chloranyl-benzenecarbonitrile Openeye Name: 2-chloro-4-[(2,5-dichlorophenyl)methyl-[(3S)-1-[(2S)-2-hydroxypropanoyl]pyrrolidin-3-yl]amino]benzonitrile CAS Name: 2-chloro-4-[(2,5-dichlorophenyl)methyl-[(3S)-1-[(2S)-2-hydroxy-1-oxopropyl]-3-pyrrolidinyl]amino]benzonitrile IUPAC Name: 2-chloro-4-[(2,5-dichlorophenyl)methyl-[(3S)-1-[(2S)-2-hydroxypropanoyl]pyrrolidin-3-yl]amino]benzonitrile Traditional Name: 2-chloro-4-[(2,5-dichlorobenzyl)-[(3S)-1-[(2S)-2-hydroxypropanoyl]pyrrolidin-3-yl]amino]benzonitrile Formula: C21H20Cl3N3O2 MolecularWeight: 452.7614

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCC(C1)N(CC2=C(C=CC(=C2)Cl)Cl)C3=CC(=C(C=C3)C#N)Cl)O

Isomeric SMILES

C[C@@H](C(=O)N1CC[C@@H](C1)N(CC2=C(C=CC(=C2)Cl)Cl)C3=CC(=C(C=C3)C#N)Cl)O

InChI

InChI=1S/C21H20Cl3N3O2/c1-13(28)21(29)26-7-6-18(12-26)27(11-15-8-16(22)3-5-19(15)23)17-4-2-14(10-25)20(24)9-17/h2-5,8-9,13,18,28H,6-7,11-12H2,1H3/t13-,18-/m0/s1