2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-N-(2-phenoxyphenyl)propanamide

Systemtic Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-N-(2-phenoxyphenyl)propanamide Openeye Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-N-(2-phenoxyphenyl)propanamide CAS Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-N-(2-phenoxyphenyl)propanamide IUPAC Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-N-(2-phenoxyphenyl)propanamide Traditional Name: N-(2-phenoxyphenyl)-2-(4-piperonylpiperazino)propionamide Formula: C27H29N3O4 MolecularWeight: 459.53686

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC=C1OC2=CC=CC=C2)N3CCN(CC3)CC4=CC5=C(C=C4)OCO5

Isomeric SMILES

CC(C(=O)NC1=CC=CC=C1OC2=CC=CC=C2)N3CCN(CC3)CC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C27H29N3O4/c1-20(27(31)28-23-9-5-6-10-24(23)34-22-7-3-2-4-8-22)30-15-13-29(14-16-30)18-21-11-12-25-26(17-21)33-19-32-25/h2-12,17,20H,13-16,18-19H2,1H3,(H,28,31)