2-(6-nitro-1,3-benzodioxol-5-yl)-2-[4-(phenylmethyl)piperidin-1-yl]-N-(4-propan-2-ylphenyl)ethanamide

Systemtic Name: 2-(6-nitro-1,3-benzodioxol-5-yl)-2-[4-(phenylmethyl)piperidin-1-yl]-N-(4-propan-2-ylphenyl)ethanamide Openeye Name: 2-(4-benzyl-1-piperidyl)-N-(4-isopropylphenyl)-2-(6-nitro-1,3-benzodioxol-5-yl)acetamide CAS Name: 2-(6-nitro-1,3-benzodioxol-5-yl)-2-[4-(phenylmethyl)-1-piperidinyl]-N-(4-propan-2-ylphenyl)acetamide IUPAC Name: 2-(4-benzylpiperidin-1-yl)-2-(6-nitro-1,3-benzodioxol-5-yl)-N-(4-propan-2-ylphenyl)acetamide Traditional Name: 2-(4-benzylpiperidino)-2-(6-nitro-1,3-benzodioxol-5-yl)-N-p-cumenyl-acetamide Formula: C30H33N3O5 MolecularWeight: 515.60012

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)NC(=O)C(C2=CC3=C(C=C2[N+](=O)[O-])OCO3)N4CCC(CC4)CC5=CC=CC=C5

Isomeric SMILES

CC(C)C1=CC=C(C=C1)NC(=O)C(C2=CC3=C(C=C2[N+](=O)[O-])OCO3)N4CCC(CC4)CC5=CC=CC=C5

InChI

InChI=1S/C30H33N3O5/c1-20(2)23-8-10-24(11-9-23)31-30(34)29(25-17-27-28(38-19-37-27)18-26(25)33(35)36)32-14-12-22(13-15-32)16-21-6-4-3-5-7-21/h3-11,17-18,20,22,29H,12-16,19H2,1-2H3,(H,31,34)