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

Systemtic Name: N-(3-ethynylphenyl)-1,2-bis(4-methoxyphenyl)-6-oxidanylidene-piperidine-3-carboxamide Openeye Name: N-(3-ethynylphenyl)-1,2-bis(4-methoxyphenyl)-6-oxo-piperidine-3-carboxamide CAS Name: N-(3-ethynylphenyl)-1,2-bis(4-methoxyphenyl)-6-oxo-3-piperidinecarboxamide IUPAC Name: N-(3-ethynylphenyl)-1,2-bis(4-methoxyphenyl)-6-oxopiperidine-3-carboxamide Traditional Name: N-(3-ethynylphenyl)-6-keto-1,2-bis(4-methoxyphenyl)nipecotamide Formula: C28H26N2O4 MolecularWeight: 454.51704

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2C(CCC(=O)N2C3=CC=C(C=C3)OC)C(=O)NC4=CC=CC(=C4)C#C

Isomeric SMILES

COC1=CC=C(C=C1)C2C(CCC(=O)N2C3=CC=C(C=C3)OC)C(=O)NC4=CC=CC(=C4)C#C

InChI

InChI=1S/C28H26N2O4/c1-4-19-6-5-7-21(18-19)29-28(32)25-16-17-26(31)30(22-10-14-24(34-3)15-11-22)27(25)20-8-12-23(33-2)13-9-20/h1,5-15,18,25,27H,16-17H2,2-3H3,(H,29,32)