N-cyclopentyl-2-[methyl-(phenylmethyl)amino]-2-(6-nitro-1,3-benzodioxol-5-yl)ethanamide

Systemtic Name: N-cyclopentyl-2-[methyl-(phenylmethyl)amino]-2-(6-nitro-1,3-benzodioxol-5-yl)ethanamide Openeye Name: 2-[benzyl(methyl)amino]-N-cyclopentyl-2-(6-nitro-1,3-benzodioxol-5-yl)acetamide CAS Name: N-cyclopentyl-2-[methyl-(phenylmethyl)amino]-2-(6-nitro-1,3-benzodioxol-5-yl)acetamide IUPAC Name: 2-[benzyl(methyl)amino]-N-cyclopentyl-2-(6-nitro-1,3-benzodioxol-5-yl)acetamide Traditional Name: 2-[benzyl(methyl)amino]-N-cyclopentyl-2-(6-nitro-1,3-benzodioxol-5-yl)acetamide Formula: C22H25N3O5 MolecularWeight: 411.451

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=CC=C1)C(C2=CC3=C(C=C2[N+](=O)[O-])OCO3)C(=O)NC4CCCC4

Isomeric SMILES

CN(CC1=CC=CC=C1)C(C2=CC3=C(C=C2[N+](=O)[O-])OCO3)C(=O)NC4CCCC4

InChI

InChI=1S/C22H25N3O5/c1-24(13-15-7-3-2-4-8-15)21(22(26)23-16-9-5-6-10-16)17-11-19-20(30-14-29-19)12-18(17)25(27)28/h2-4,7-8,11-12,16,21H,5-6,9-10,13-14H2,1H3,(H,23,26)