1-[4-[(5-chloranyl-1,3-dimethyl-pyrazol-4-yl)methyl]-1,4-diazepan-1-yl]-2-(8-chloranylnaphthalen-1-yl)sulfanyl-ethanone

Systemtic Name: 1-[4-[(5-chloranyl-1,3-dimethyl-pyrazol-4-yl)methyl]-1,4-diazepan-1-yl]-2-(8-chloranylnaphthalen-1-yl)sulfanyl-ethanone Openeye Name: 1-[4-[(5-chloro-1,3-dimethyl-pyrazol-4-yl)methyl]-1,4-diazepan-1-yl]-2-[(8-chloro-1-naphthyl)sulfanyl]ethanone CAS Name: 1-[4-[(5-chloro-1,3-dimethyl-4-pyrazolyl)methyl]-1,4-diazepan-1-yl]-2-[(8-chloro-1-naphthalenyl)thio]ethanone IUPAC Name: 1-[4-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-1,4-diazepan-1-yl]-2-(8-chloronaphthalen-1-yl)sulfanylethanone Traditional Name: 1-[4-[(5-chloro-1,3-dimethyl-pyrazol-4-yl)methyl]-1,4-diazepan-1-yl]-2-[(8-chloro-1-naphthyl)thio]ethanone Formula: C23H26Cl2N4OS MolecularWeight: 477.44974

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1CN2CCCN(CC2)C(=O)CSC3=CC=CC4=C3C(=CC=C4)Cl)Cl)C

Isomeric SMILES

CC1=NN(C(=C1CN2CCCN(CC2)C(=O)CSC3=CC=CC4=C3C(=CC=C4)Cl)Cl)C

InChI

InChI=1S/C23H26Cl2N4OS/c1-16-18(23(25)27(2)26-16)14-28-10-5-11-29(13-12-28)21(30)15-31-20-9-4-7-17-6-3-8-19(24)22(17)20/h3-4,6-9H,5,10-15H2,1-2H3