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

Systemtic Name: 2-phenyl-2-phenylsulfanyl-1-[4-(pyridin-3-ylmethyl)-1,4-diazepan-1-yl]ethanone Openeye Name: 2-phenyl-2-phenylsulfanyl-1-[4-(3-pyridylmethyl)-1,4-diazepan-1-yl]ethanone CAS Name: 2-phenyl-2-(phenylthio)-1-[4-(3-pyridinylmethyl)-1,4-diazepan-1-yl]ethanone IUPAC Name: 2-phenyl-2-phenylsulfanyl-1-[4-(pyridin-3-ylmethyl)-1,4-diazepan-1-yl]ethanone Traditional Name: 2-phenyl-2-(phenylthio)-1-[4-(3-pyridylmethyl)-1,4-diazepan-1-yl]ethanone Formula: C25H27N3OS MolecularWeight: 417.56638

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=O)C(C2=CC=CC=C2)SC3=CC=CC=C3)CC4=CN=CC=C4

Isomeric SMILES

C1CN(CCN(C1)C(=O)C(C2=CC=CC=C2)SC3=CC=CC=C3)CC4=CN=CC=C4

InChI

InChI=1S/C25H27N3OS/c29-25(24(22-10-3-1-4-11-22)30-23-12-5-2-6-13-23)28-16-8-15-27(17-18-28)20-21-9-7-14-26-19-21/h1-7,9-14,19,24H,8,15-18,20H2