4-[[4-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]carbonyl]piperazin-1-yl]methyl]-N-phenyl-benzamide

Systemtic Name: 4-[[4-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]carbonyl]piperazin-1-yl]methyl]-N-phenyl-benzamide Openeye Name: 4-[[4-[(3R)-2,3-dihydro-1,4-benzodioxine-3-carbonyl]piperazin-1-yl]methyl]-N-phenyl-benzamide CAS Name: 4-[[4-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]-oxomethyl]-1-piperazinyl]methyl]-N-phenylbenzamide IUPAC Name: 4-[[4-[(3R)-2,3-dihydro-1,4-benzodioxine-3-carbonyl]piperazin-1-yl]methyl]-N-phenylbenzamide Traditional Name: 4-[[4-[(3R)-2,3-dihydro-1,4-benzodioxin-3-carbonyl]piperazino]methyl]-N-phenyl-benzamide Formula: C27H27N3O4 MolecularWeight: 457.52098

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=C(C=C2)C(=O)NC3=CC=CC=C3)C(=O)C4COC5=CC=CC=C5O4

Isomeric SMILES

C1CN(CCN1CC2=CC=C(C=C2)C(=O)NC3=CC=CC=C3)C(=O)[C@H]4COC5=CC=CC=C5O4

InChI

InChI=1S/C27H27N3O4/c31-26(28-22-6-2-1-3-7-22)21-12-10-20(11-13-21)18-29-14-16-30(17-15-29)27(32)25-19-33-23-8-4-5-9-24(23)34-25/h1-13,25H,14-19H2,(H,28,31)/t25-/m1/s1