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

Systemtic Name: (2R)-2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-N-(3-cyanothiophen-2-yl)propanamide Openeye Name: (2R)-2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-N-(3-cyano-2-thienyl)propanamide CAS Name: (2R)-2-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-N-(3-cyano-2-thiophenyl)propanamide IUPAC Name: (2R)-2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-N-(3-cyanothiophen-2-yl)propanamide Traditional Name: (2R)-N-(3-cyano-2-thienyl)-2-(4-piperonylpiperazino)propionamide Formula: C20H22N4O3S MolecularWeight: 398.47868

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=C(C=CS1)C#N)N2CCN(CC2)CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

C[C@H](C(=O)NC1=C(C=CS1)C#N)N2CCN(CC2)CC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C20H22N4O3S/c1-14(19(25)22-20-16(11-21)4-9-28-20)24-7-5-23(6-8-24)12-15-2-3-17-18(10-15)27-13-26-17/h2-4,9-10,14H,5-8,12-13H2,1H3,(H,22,25)/t14-/m1/s1