(2R)-2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-N-(cyclohexylcarbamoyl)propanamide

Systemtic Name: (2R)-2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-N-(cyclohexylcarbamoyl)propanamide Openeye Name: (2R)-2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-N-(cyclohexylcarbamoyl)propanamide CAS Name: (2R)-2-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-N-[(cyclohexylamino)-oxomethyl]propanamide IUPAC Name: (2R)-2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-N-(cyclohexylcarbamoyl)propanamide Traditional Name: (2R)-N-(cyclohexylcarbamoyl)-2-(4-piperonylpiperazino)propionamide Formula: C22H32N4O4 MolecularWeight: 416.51388

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(=O)NC1CCCCC1)N2CCN(CC2)CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

C[C@H](C(=O)NC(=O)NC1CCCCC1)N2CCN(CC2)CC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C22H32N4O4/c1-16(21(27)24-22(28)23-18-5-3-2-4-6-18)26-11-9-25(10-12-26)14-17-7-8-19-20(13-17)30-15-29-19/h7-8,13,16,18H,2-6,9-12,14-15H2,1H3,(H2,23,24,27,28)/t16-/m1/s1