4-(azepan-1-yl)-1-phenyl-1-pyridin-3-yl-but-2-yn-1-ol

Systemtic Name: 4-(azepan-1-yl)-1-phenyl-1-pyridin-3-yl-but-2-yn-1-ol Openeye Name: 4-(azepan-1-yl)-1-phenyl-1-(3-pyridyl)but-2-yn-1-ol CAS Name: 4-(1-azepanyl)-1-phenyl-1-(3-pyridinyl)-2-butyn-1-ol IUPAC Name: 4-(azepan-1-yl)-1-phenyl-1-pyridin-3-ylbut-2-yn-1-ol Traditional Name: 4-(azepan-1-yl)-1-phenyl-1-(3-pyridyl)but-2-yn-1-ol Formula: C21H24N2O MolecularWeight: 320.42806

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)CC#CC(C2=CC=CC=C2)(C3=CN=CC=C3)O

Isomeric SMILES

C1CCCN(CC1)CC#CC(C2=CC=CC=C2)(C3=CN=CC=C3)O

InChI

InChI=1S/C21H24N2O/c24-21(19-10-4-3-5-11-19,20-12-8-14-22-18-20)13-9-17-23-15-6-1-2-7-16-23/h3-5,8,10-12,14,18,24H,1-2,6-7,15-17H2