2-(3,4-dimethoxyphenyl)-N-(3-ethynylphenyl)-1-(4-methoxyphenyl)-6-oxidanylidene-piperidine-3-carboxamide

Systemtic Name: 2-(3,4-dimethoxyphenyl)-N-(3-ethynylphenyl)-1-(4-methoxyphenyl)-6-oxidanylidene-piperidine-3-carboxamide Openeye Name: 2-(3,4-dimethoxyphenyl)-N-(3-ethynylphenyl)-1-(4-methoxyphenyl)-6-oxo-piperidine-3-carboxamide CAS Name: 2-(3,4-dimethoxyphenyl)-N-(3-ethynylphenyl)-1-(4-methoxyphenyl)-6-oxo-3-piperidinecarboxamide IUPAC Name: 2-(3,4-dimethoxyphenyl)-N-(3-ethynylphenyl)-1-(4-methoxyphenyl)-6-oxopiperidine-3-carboxamide Traditional Name: 2-(3,4-dimethoxyphenyl)-N-(3-ethynylphenyl)-6-keto-1-(4-methoxyphenyl)nipecotamide Formula: C29H28N2O5 MolecularWeight: 484.54302

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2C(C(CCC2=O)C(=O)NC3=CC=CC(=C3)C#C)C4=CC(=C(C=C4)OC)OC

Isomeric SMILES

COC1=CC=C(C=C1)N2C(C(CCC2=O)C(=O)NC3=CC=CC(=C3)C#C)C4=CC(=C(C=C4)OC)OC

InChI

InChI=1S/C29H28N2O5/c1-5-19-7-6-8-21(17-19)30-29(33)24-14-16-27(32)31(22-10-12-23(34-2)13-11-22)28(24)20-9-15-25(35-3)26(18-20)36-4/h1,6-13,15,17-18,24,28H,14,16H2,2-4H3,(H,30,33)