N-[(1S,3S)-3-[2-(3-chlorophenyl)ethynyl]-3-oxidanyl-cyclohexyl]-4-methyl-benzamide

Systemtic Name: N-[(1S,3S)-3-[2-(3-chlorophenyl)ethynyl]-3-oxidanyl-cyclohexyl]-4-methyl-benzamide Openeye Name: N-[(1S,3S)-3-[2-(3-chlorophenyl)ethynyl]-3-hydroxy-cyclohexyl]-4-methyl-benzamide CAS Name: N-[(1S,3S)-3-[2-(3-chlorophenyl)ethynyl]-3-hydroxycyclohexyl]-4-methylbenzamide IUPAC Name: N-[(1S,3S)-3-[2-(3-chlorophenyl)ethynyl]-3-hydroxycyclohexyl]-4-methylbenzamide Traditional Name: N-[(1S,3S)-3-[2-(3-chlorophenyl)ethynyl]-3-hydroxy-cyclohexyl]-4-methyl-benzamide Formula: C22H22ClNO2 MolecularWeight: 367.86858

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)NC2CCCC(C2)(C#CC3=CC(=CC=C3)Cl)O

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)N[C@H]2CCC[C@](C2)(C#CC3=CC(=CC=C3)Cl)O

InChI

InChI=1S/C22H22ClNO2/c1-16-7-9-18(10-8-16)21(25)24-20-6-3-12-22(26,15-20)13-11-17-4-2-5-19(23)14-17/h2,4-5,7-10,14,20,26H,3,6,12,15H2,1H3,(H,24,25)/t20-,22+/m0/s1