2-(4-fluorophenyl)sulfanyl-1-[4-(pyridin-4-ylmethyl)-1,4-diazepan-1-yl]ethanone

Systemtic Name: 2-(4-fluorophenyl)sulfanyl-1-[4-(pyridin-4-ylmethyl)-1,4-diazepan-1-yl]ethanone Openeye Name: 2-(4-fluorophenyl)sulfanyl-1-[4-(4-pyridylmethyl)-1,4-diazepan-1-yl]ethanone CAS Name: 2-[(4-fluorophenyl)thio]-1-[4-(pyridin-4-ylmethyl)-1,4-diazepan-1-yl]ethanone IUPAC Name: 2-(4-fluorophenyl)sulfanyl-1-[4-(pyridin-4-ylmethyl)-1,4-diazepan-1-yl]ethanone Traditional Name: 2-[(4-fluorophenyl)thio]-1-[4-(4-pyridylmethyl)-1,4-diazepan-1-yl]ethanone Formula: C19H22FN3OS MolecularWeight: 359.460883

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=O)CSC2=CC=C(C=C2)F)CC3=CC=NC=C3

Isomeric SMILES

C1CN(CCN(C1)C(=O)CSC2=CC=C(C=C2)F)CC3=CC=NC=C3

InChI

InChI=1S/C19H22FN3OS/c20-17-2-4-18(5-3-17)25-15-19(24)23-11-1-10-22(12-13-23)14-16-6-8-21-9-7-16/h2-9H,1,10-15H2