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

Systemtic Name: 1-[4-[(5-chloranyl-1,3-dimethyl-pyrazol-4-yl)methyl]-1,4-diazepan-1-yl]-2-quinoxalin-2-ylsulfanyl-ethanone Openeye Name: 1-[4-[(5-chloro-1,3-dimethyl-pyrazol-4-yl)methyl]-1,4-diazepan-1-yl]-2-quinoxalin-2-ylsulfanyl-ethanone CAS Name: 1-[4-[(5-chloro-1,3-dimethyl-4-pyrazolyl)methyl]-1,4-diazepan-1-yl]-2-(2-quinoxalinylthio)ethanone IUPAC Name: 1-[4-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-1,4-diazepan-1-yl]-2-quinoxalin-2-ylsulfanylethanone Traditional Name: 1-[4-[(5-chloro-1,3-dimethyl-pyrazol-4-yl)methyl]-1,4-diazepan-1-yl]-2-(quinoxalin-2-ylthio)ethanone Formula: C21H25ClN6OS MolecularWeight: 444.9808

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1CN2CCCN(CC2)C(=O)CSC3=NC4=CC=CC=C4N=C3)Cl)C

Isomeric SMILES

CC1=NN(C(=C1CN2CCCN(CC2)C(=O)CSC3=NC4=CC=CC=C4N=C3)Cl)C

InChI

InChI=1S/C21H25ClN6OS/c1-15-16(21(22)26(2)25-15)13-27-8-5-9-28(11-10-27)20(29)14-30-19-12-23-17-6-3-4-7-18(17)24-19/h3-4,6-7,12H,5,8-11,13-14H2,1-2H3