2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-N-(3-cyano-1-cyclohexyl-4,5-dimethyl-pyrrol-2-yl)ethanamide

Systemtic Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-N-(3-cyano-1-cyclohexyl-4,5-dimethyl-pyrrol-2-yl)ethanamide Openeye Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-N-(3-cyano-1-cyclohexyl-4,5-dimethyl-pyrrol-2-yl)acetamide CAS Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-N-(3-cyano-1-cyclohexyl-4,5-dimethyl-2-pyrrolyl)acetamide IUPAC Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-N-(3-cyano-1-cyclohexyl-4,5-dimethylpyrrol-2-yl)acetamide Traditional Name: N-(3-cyano-1-cyclohexyl-4,5-dimethyl-pyrrol-2-yl)-2-(4-piperonylpiperazino)acetamide Formula: C27H35N5O3 MolecularWeight: 477.5985

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(C(=C1C#N)NC(=O)CN2CCN(CC2)CC3=CC4=C(C=C3)OCO4)C5CCCCC5)C

Isomeric SMILES

CC1=C(N(C(=C1C#N)NC(=O)CN2CCN(CC2)CC3=CC4=C(C=C3)OCO4)C5CCCCC5)C

InChI

InChI=1S/C27H35N5O3/c1-19-20(2)32(22-6-4-3-5-7-22)27(23(19)15-28)29-26(33)17-31-12-10-30(11-13-31)16-21-8-9-24-25(14-21)35-18-34-24/h8-9,14,22H,3-7,10-13,16-18H2,1-2H3,(H,29,33)