N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]-4-(thiophen-2-ylmethyl)piperazine-1-carboxamide

Systemtic Name: N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]-4-(thiophen-2-ylmethyl)piperazine-1-carboxamide Openeye Name: N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]-4-(2-thienylmethyl)piperazine-1-carboxamide CAS Name: N-[[2-(1-pyrrolidinylmethyl)phenyl]methyl]-4-(thiophen-2-ylmethyl)-1-piperazinecarboxamide IUPAC Name: N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]-4-(thiophen-2-ylmethyl)piperazine-1-carboxamide Traditional Name: N-[2-(pyrrolidinomethyl)benzyl]-4-(2-thenyl)piperazine-1-carboxamide Formula: C22H30N4OS MolecularWeight: 398.5648

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)CC2=CC=CC=C2CNC(=O)N3CCN(CC3)CC4=CC=CS4

Isomeric SMILES

C1CCN(C1)CC2=CC=CC=C2CNC(=O)N3CCN(CC3)CC4=CC=CS4

InChI

InChI=1S/C22H30N4OS/c27-22(26-13-11-25(12-14-26)18-21-8-5-15-28-21)23-16-19-6-1-2-7-20(19)17-24-9-3-4-10-24/h1-2,5-8,15H,3-4,9-14,16-18H2,(H,23,27)