[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-[4-(2-phenylethynyl)phenyl]methanone

Systemtic Name: [4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-[4-(2-phenylethynyl)phenyl]methanone Openeye Name: [4-(1,3-benzoxazol-2-yl)-1-piperidyl]-[4-(2-phenylethynyl)phenyl]methanone CAS Name: [4-(1,3-benzoxazol-2-yl)-1-piperidinyl]-[4-(2-phenylethynyl)phenyl]methanone IUPAC Name: [4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-[4-(2-phenylethynyl)phenyl]methanone Traditional Name: [4-(1,3-benzoxazol-2-yl)piperidino]-[4-(2-phenylethynyl)phenyl]methanone Formula: C27H22N2O2 MolecularWeight: 406.47578

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C2=NC3=CC=CC=C3O2)C(=O)C4=CC=C(C=C4)C#CC5=CC=CC=C5

Isomeric SMILES

C1CN(CCC1C2=NC3=CC=CC=C3O2)C(=O)C4=CC=C(C=C4)C#CC5=CC=CC=C5

InChI

InChI=1S/C27H22N2O2/c30-27(23-14-12-21(13-15-23)11-10-20-6-2-1-3-7-20)29-18-16-22(17-19-29)26-28-24-8-4-5-9-25(24)31-26/h1-9,12-15,22H,16-19H2