1-(2-phenoxyethyl)-5-[4-(thiophen-2-ylmethyl)piperazin-1-yl]azepan-2-one

Systemtic Name: 1-(2-phenoxyethyl)-5-[4-(thiophen-2-ylmethyl)piperazin-1-yl]azepan-2-one Openeye Name: 1-(2-phenoxyethyl)-5-[4-(2-thienylmethyl)piperazin-1-yl]azepan-2-one CAS Name: 1-(2-phenoxyethyl)-5-[4-(thiophen-2-ylmethyl)-1-piperazinyl]-2-azepanone IUPAC Name: 1-(2-phenoxyethyl)-5-[4-(thiophen-2-ylmethyl)piperazin-1-yl]azepan-2-one Traditional Name: 1-(2-phenoxyethyl)-5-[4-(2-thenyl)piperazino]azepan-2-one Formula: C23H31N3O2S MolecularWeight: 413.57614

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)N(CCC1N2CCN(CC2)CC3=CC=CS3)CCOC4=CC=CC=C4

Isomeric SMILES

C1CC(=O)N(CCC1N2CCN(CC2)CC3=CC=CS3)CCOC4=CC=CC=C4

InChI

InChI=1S/C23H31N3O2S/c27-23-9-8-20(10-11-26(23)16-17-28-21-5-2-1-3-6-21)25-14-12-24(13-15-25)19-22-7-4-18-29-22/h1-7,18,20H,8-17,19H2