2-(2-phenoxyethylsulfanyl)-1-[4-(pyridin-3-ylmethyl)-1,4-diazepan-1-yl]ethanone

Systemtic Name: 2-(2-phenoxyethylsulfanyl)-1-[4-(pyridin-3-ylmethyl)-1,4-diazepan-1-yl]ethanone Openeye Name: 2-(2-phenoxyethylsulfanyl)-1-[4-(3-pyridylmethyl)-1,4-diazepan-1-yl]ethanone CAS Name: 2-(2-phenoxyethylthio)-1-[4-(3-pyridinylmethyl)-1,4-diazepan-1-yl]ethanone IUPAC Name: 2-(2-phenoxyethylsulfanyl)-1-[4-(pyridin-3-ylmethyl)-1,4-diazepan-1-yl]ethanone Traditional Name: 2-(2-phenoxyethylthio)-1-[4-(3-pyridylmethyl)-1,4-diazepan-1-yl]ethanone Formula: C21H27N3O2S MolecularWeight: 385.52298

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=O)CSCCOC2=CC=CC=C2)CC3=CN=CC=C3

Isomeric SMILES

C1CN(CCN(C1)C(=O)CSCCOC2=CC=CC=C2)CC3=CN=CC=C3

InChI

InChI=1S/C21H27N3O2S/c25-21(18-27-15-14-26-20-7-2-1-3-8-20)24-11-5-10-23(12-13-24)17-19-6-4-9-22-16-19/h1-4,6-9,16H,5,10-15,17-18H2