N-(1,3-benzodioxol-5-ylmethyl)-2-[4-(phenylmethyl)-1,4-diazepan-1-yl]ethanamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[4-(phenylmethyl)-1,4-diazepan-1-yl]ethanamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-2-(4-benzyl-1,4-diazepan-1-yl)acetamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[4-(phenylmethyl)-1,4-diazepan-1-yl]acetamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-2-(4-benzyl-1,4-diazepan-1-yl)acetamide Traditional Name: 2-(4-benzyl-1,4-diazepan-1-yl)-N-piperonyl-acetamide Formula: C22H27N3O3 MolecularWeight: 381.46808

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)CC(=O)NCC2=CC3=C(C=C2)OCO3)CC4=CC=CC=C4

Isomeric SMILES

C1CN(CCN(C1)CC(=O)NCC2=CC3=C(C=C2)OCO3)CC4=CC=CC=C4

InChI

InChI=1S/C22H27N3O3/c26-22(23-14-19-7-8-20-21(13-19)28-17-27-20)16-25-10-4-9-24(11-12-25)15-18-5-2-1-3-6-18/h1-3,5-8,13H,4,9-12,14-17H2,(H,23,26)