[1-(3-ethynylphenyl)carbonylpiperidin-3-yl]-(3-propan-2-yloxyphenyl)methanone

Systemtic Name: [1-(3-ethynylphenyl)carbonylpiperidin-3-yl]-(3-propan-2-yloxyphenyl)methanone Openeye Name: [1-(3-ethynylbenzoyl)-3-piperidyl]-(3-isopropoxyphenyl)methanone CAS Name: [1-[(3-ethynylphenyl)-oxomethyl]-3-piperidinyl]-(3-propan-2-yloxyphenyl)methanone IUPAC Name: [1-(3-ethynylbenzoyl)piperidin-3-yl]-(3-propan-2-yloxyphenyl)methanone Traditional Name: [1-(3-ethynylbenzoyl)-3-piperidyl]-(3-isopropoxyphenyl)methanone Formula: C24H25NO3 MolecularWeight: 375.4602

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=CC=CC(=C1)C(=O)C2CCCN(C2)C(=O)C3=CC=CC(=C3)C#C

Isomeric SMILES

CC(C)OC1=CC=CC(=C1)C(=O)C2CCCN(C2)C(=O)C3=CC=CC(=C3)C#C

InChI

InChI=1S/C24H25NO3/c1-4-18-8-5-10-20(14-18)24(27)25-13-7-11-21(16-25)23(26)19-9-6-12-22(15-19)28-17(2)3/h1,5-6,8-10,12,14-15,17,21H,7,11,13,16H2,2-3H3