2-(8-chloranylnaphthalen-1-yl)sulfanyl-1-[4-(pyridin-2-ylmethyl)-1,4-diazepan-1-yl]ethanone

Systemtic Name: 2-(8-chloranylnaphthalen-1-yl)sulfanyl-1-[4-(pyridin-2-ylmethyl)-1,4-diazepan-1-yl]ethanone Openeye Name: 2-[(8-chloro-1-naphthyl)sulfanyl]-1-[4-(2-pyridylmethyl)-1,4-diazepan-1-yl]ethanone CAS Name: 2-[(8-chloro-1-naphthalenyl)thio]-1-[4-(2-pyridinylmethyl)-1,4-diazepan-1-yl]ethanone IUPAC Name: 2-(8-chloronaphthalen-1-yl)sulfanyl-1-[4-(pyridin-2-ylmethyl)-1,4-diazepan-1-yl]ethanone Traditional Name: 2-[(8-chloro-1-naphthyl)thio]-1-[4-(2-pyridylmethyl)-1,4-diazepan-1-yl]ethanone Formula: C23H24ClN3OS MolecularWeight: 425.97416

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=O)CSC2=CC=CC3=C2C(=CC=C3)Cl)CC4=CC=CC=N4

Isomeric SMILES

C1CN(CCN(C1)C(=O)CSC2=CC=CC3=C2C(=CC=C3)Cl)CC4=CC=CC=N4

InChI

InChI=1S/C23H24ClN3OS/c24-20-9-3-6-18-7-4-10-21(23(18)20)29-17-22(28)27-13-5-12-26(14-15-27)16-19-8-1-2-11-25-19/h1-4,6-11H,5,12-17H2