2-(8-chloranylnaphthalen-1-yl)sulfanyl-1-[4-(pyridin-3-ylmethyl)-1,4-diazepan-1-yl]ethanone

Systemtic Name: 2-(8-chloranylnaphthalen-1-yl)sulfanyl-1-[4-(pyridin-3-ylmethyl)-1,4-diazepan-1-yl]ethanone Openeye Name: 2-[(8-chloro-1-naphthyl)sulfanyl]-1-[4-(3-pyridylmethyl)-1,4-diazepan-1-yl]ethanone CAS Name: 2-[(8-chloro-1-naphthalenyl)thio]-1-[4-(3-pyridinylmethyl)-1,4-diazepan-1-yl]ethanone IUPAC Name: 2-(8-chloronaphthalen-1-yl)sulfanyl-1-[4-(pyridin-3-ylmethyl)-1,4-diazepan-1-yl]ethanone Traditional Name: 2-[(8-chloro-1-naphthyl)thio]-1-[4-(3-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=CN=CC=C4

Isomeric SMILES

C1CN(CCN(C1)C(=O)CSC2=CC=CC3=C2C(=CC=C3)Cl)CC4=CN=CC=C4

InChI

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