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

Systemtic Name: N-(1,3-benzodioxol-5-yl)-2-[4-(phenylmethyl)-1,4-diazepan-1-yl]ethanamide Openeye Name: N-(1,3-benzodioxol-5-yl)-2-(4-benzyl-1,4-diazepan-1-yl)acetamide CAS Name: N-(1,3-benzodioxol-5-yl)-2-[4-(phenylmethyl)-1,4-diazepan-1-yl]acetamide IUPAC Name: N-(1,3-benzodioxol-5-yl)-2-(4-benzyl-1,4-diazepan-1-yl)acetamide Traditional Name: N-(1,3-benzodioxol-5-yl)-2-(4-benzyl-1,4-diazepan-1-yl)acetamide Formula: C21H25N3O3 MolecularWeight: 367.4415

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)CC(=O)NC2=CC3=C(C=C2)OCO3)CC4=CC=CC=C4

Isomeric SMILES

C1CN(CCN(C1)CC(=O)NC2=CC3=C(C=C2)OCO3)CC4=CC=CC=C4

InChI

InChI=1S/C21H25N3O3/c25-21(22-18-7-8-19-20(13-18)27-16-26-19)15-24-10-4-9-23(11-12-24)14-17-5-2-1-3-6-17/h1-3,5-8,13H,4,9-12,14-16H2,(H,22,25)