4-[4-(4-chlorophenyl)-4-oxidanyl-piperidin-1-yl]-1-(3-phenylphenyl)but-2-yn-1-one

Systemtic Name: 4-[4-(4-chlorophenyl)-4-oxidanyl-piperidin-1-yl]-1-(3-phenylphenyl)but-2-yn-1-one Openeye Name: 4-[4-(4-chlorophenyl)-4-hydroxy-1-piperidyl]-1-(3-phenylphenyl)but-2-yn-1-one CAS Name: 4-[4-(4-chlorophenyl)-4-hydroxy-1-piperidinyl]-1-(3-phenylphenyl)-2-butyn-1-one IUPAC Name: 4-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-1-(3-phenylphenyl)but-2-yn-1-one Traditional Name: 4-[4-(4-chlorophenyl)-4-hydroxy-piperidino]-1-(3-phenylphenyl)but-2-yn-1-one Formula: C27H24ClNO2 MolecularWeight: 429.93796

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1(C2=CC=C(C=C2)Cl)O)CC#CC(=O)C3=CC=CC(=C3)C4=CC=CC=C4

Isomeric SMILES

C1CN(CCC1(C2=CC=C(C=C2)Cl)O)CC#CC(=O)C3=CC=CC(=C3)C4=CC=CC=C4

InChI

InChI=1S/C27H24ClNO2/c28-25-13-11-24(12-14-25)27(31)15-18-29(19-16-27)17-5-10-26(30)23-9-4-8-22(20-23)21-6-2-1-3-7-21/h1-4,6-9,11-14,20,31H,15-19H2