4-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-phenyl-methyl]-N,N-diethyl-benzamide

Systemtic Name: 4-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-phenyl-methyl]-N,N-diethyl-benzamide Openeye Name: 4-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-phenyl-methyl]-N,N-diethyl-benzamide CAS Name: 4-[[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-phenylmethyl]-N,N-diethylbenzamide IUPAC Name: 4-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-phenylmethyl]-N,N-diethylbenzamide Traditional Name: N,N-diethyl-4-[phenyl-(4-piperonylpiperazino)methyl]benzamide Formula: C30H35N3O3 MolecularWeight: 485.6172

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C30H35N3O3/c1-3-32(4-2)30(34)26-13-11-25(12-14-26)29(24-8-6-5-7-9-24)33-18-16-31(17-19-33)21-23-10-15-27-28(20-23)36-22-35-27/h5-15,20,29H,3-4,16-19,21-22H2,1-2H3