N-[3-chloranyl-4-[(S)-cyano(phenyl)methyl]phenyl]cyclohexanecarboxamide

Systemtic Name: N-[3-chloranyl-4-[(S)-cyano(phenyl)methyl]phenyl]cyclohexanecarboxamide Openeye Name: N-[3-chloro-4-[(S)-cyano(phenyl)methyl]phenyl]cyclohexanecarboxamide CAS Name: N-[3-chloro-4-[(S)-cyano(phenyl)methyl]phenyl]cyclohexanecarboxamide IUPAC Name: N-[3-chloro-4-[(S)-cyano(phenyl)methyl]phenyl]cyclohexanecarboxamide Traditional Name: N-[3-chloro-4-[(S)-cyano(phenyl)methyl]phenyl]cyclohexanecarboxamide Formula: C21H21ClN2O MolecularWeight: 352.85724

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C(=O)NC2=CC(=C(C=C2)C(C#N)C3=CC=CC=C3)Cl

Isomeric SMILES

C1CCC(CC1)C(=O)NC2=CC(=C(C=C2)[C@@H](C#N)C3=CC=CC=C3)Cl

InChI

InChI=1S/C21H21ClN2O/c22-20-13-17(24-21(25)16-9-5-2-6-10-16)11-12-18(20)19(14-23)15-7-3-1-4-8-15/h1,3-4,7-8,11-13,16,19H,2,5-6,9-10H2,(H,24,25)/t19-/m0/s1