1-[4-[(5-chloranyl-1,3-dimethyl-pyrazol-4-yl)methyl]-1,4-diazepan-1-yl]-2-phenyl-2-phenylsulfanyl-ethanone

Systemtic Name: 1-[4-[(5-chloranyl-1,3-dimethyl-pyrazol-4-yl)methyl]-1,4-diazepan-1-yl]-2-phenyl-2-phenylsulfanyl-ethanone Openeye Name: 1-[4-[(5-chloro-1,3-dimethyl-pyrazol-4-yl)methyl]-1,4-diazepan-1-yl]-2-phenyl-2-phenylsulfanyl-ethanone CAS Name: 1-[4-[(5-chloro-1,3-dimethyl-4-pyrazolyl)methyl]-1,4-diazepan-1-yl]-2-phenyl-2-(phenylthio)ethanone IUPAC Name: 1-[4-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-1,4-diazepan-1-yl]-2-phenyl-2-phenylsulfanylethanone Traditional Name: 1-[4-[(5-chloro-1,3-dimethyl-pyrazol-4-yl)methyl]-1,4-diazepan-1-yl]-2-phenyl-2-(phenylthio)ethanone Formula: C25H29ClN4OS MolecularWeight: 469.04196

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1CN2CCCN(CC2)C(=O)C(C3=CC=CC=C3)SC4=CC=CC=C4)Cl)C

Isomeric SMILES

CC1=NN(C(=C1CN2CCCN(CC2)C(=O)C(C3=CC=CC=C3)SC4=CC=CC=C4)Cl)C

InChI

InChI=1S/C25H29ClN4OS/c1-19-22(24(26)28(2)27-19)18-29-14-9-15-30(17-16-29)25(31)23(20-10-5-3-6-11-20)32-21-12-7-4-8-13-21/h3-8,10-13,23H,9,14-18H2,1-2H3