4-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]carbonyl]-N-(3,5-dimethoxyphenyl)piperazine-1-carboxamide

Systemtic Name: 4-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]carbonyl]-N-(3,5-dimethoxyphenyl)piperazine-1-carboxamide Openeye Name: 4-[(3R)-2,3-dihydro-1,4-benzodioxine-3-carbonyl]-N-(3,5-dimethoxyphenyl)piperazine-1-carboxamide CAS Name: 4-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]-oxomethyl]-N-(3,5-dimethoxyphenyl)-1-piperazinecarboxamide IUPAC Name: 4-[(3R)-2,3-dihydro-1,4-benzodioxine-3-carbonyl]-N-(3,5-dimethoxyphenyl)piperazine-1-carboxamide Traditional Name: 4-[(3R)-2,3-dihydro-1,4-benzodioxin-3-carbonyl]-N-(3,5-dimethoxyphenyl)piperazine-1-carboxamide Formula: C22H25N3O6 MolecularWeight: 427.4504

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1)NC(=O)N2CCN(CC2)C(=O)C3COC4=CC=CC=C4O3)OC

Isomeric SMILES

COC1=CC(=CC(=C1)NC(=O)N2CCN(CC2)C(=O)[C@H]3COC4=CC=CC=C4O3)OC

InChI

InChI=1S/C22H25N3O6/c1-28-16-11-15(12-17(13-16)29-2)23-22(27)25-9-7-24(8-10-25)21(26)20-14-30-18-5-3-4-6-19(18)31-20/h3-6,11-13,20H,7-10,14H2,1-2H3,(H,23,27)/t20-/m1/s1