2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-N-(3,5-dimethylphenyl)-2-phenyl-ethanamide

Systemtic Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-N-(3,5-dimethylphenyl)-2-phenyl-ethanamide Openeye Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-N-(3,5-dimethylphenyl)-2-phenyl-acetamide CAS Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-N-(3,5-dimethylphenyl)-2-phenylacetamide IUPAC Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-N-(3,5-dimethylphenyl)-2-phenylacetamide Traditional Name: N-(3,5-dimethylphenyl)-2-phenyl-2-(4-piperonylpiperazino)acetamide Formula: C28H31N3O3 MolecularWeight: 457.56404

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)NC(=O)C(C2=CC=CC=C2)N3CCN(CC3)CC4=CC5=C(C=C4)OCO5)C

Isomeric SMILES

CC1=CC(=CC(=C1)NC(=O)C(C2=CC=CC=C2)N3CCN(CC3)CC4=CC5=C(C=C4)OCO5)C

InChI

InChI=1S/C28H31N3O3/c1-20-14-21(2)16-24(15-20)29-28(32)27(23-6-4-3-5-7-23)31-12-10-30(11-13-31)18-22-8-9-25-26(17-22)34-19-33-25/h3-9,14-17,27H,10-13,18-19H2,1-2H3,(H,29,32)