4-(azepan-1-yl)-1-cyclohexyl-1-phenyl-but-2-yn-1-ol

Systemtic Name: 4-(azepan-1-yl)-1-cyclohexyl-1-phenyl-but-2-yn-1-ol Openeye Name: 4-(azepan-1-yl)-1-cyclohexyl-1-phenyl-but-2-yn-1-ol CAS Name: 4-(1-azepanyl)-1-cyclohexyl-1-phenyl-2-butyn-1-ol IUPAC Name: 4-(azepan-1-yl)-1-cyclohexyl-1-phenylbut-2-yn-1-ol Traditional Name: 4-(azepan-1-yl)-1-cyclohexyl-1-phenyl-but-2-yn-1-ol Formula: C22H31NO MolecularWeight: 325.48764

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)CC#CC(C2CCCCC2)(C3=CC=CC=C3)O

Isomeric SMILES

C1CCCN(CC1)CC#CC(C2CCCCC2)(C3=CC=CC=C3)O

InChI

InChI=1S/C22H31NO/c24-22(20-12-5-3-6-13-20,21-14-7-4-8-15-21)16-11-19-23-17-9-1-2-10-18-23/h3,5-6,12-13,21,24H,1-2,4,7-10,14-15,17-19H2