1-[(3-bromanylthiophen-2-yl)methyl]-4-[(5-chloranyl-1,3-dimethyl-pyrazol-4-yl)methyl]-1,4-diazepane

Systemtic Name: 1-[(3-bromanylthiophen-2-yl)methyl]-4-[(5-chloranyl-1,3-dimethyl-pyrazol-4-yl)methyl]-1,4-diazepane Openeye Name: 1-[(3-bromo-2-thienyl)methyl]-4-[(5-chloro-1,3-dimethyl-pyrazol-4-yl)methyl]-1,4-diazepane CAS Name: 1-[(3-bromo-2-thiophenyl)methyl]-4-[(5-chloro-1,3-dimethyl-4-pyrazolyl)methyl]-1,4-diazepane IUPAC Name: 1-[(3-bromothiophen-2-yl)methyl]-4-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-1,4-diazepane Traditional Name: 1-[(3-bromo-2-thienyl)methyl]-4-[(5-chloro-1,3-dimethyl-pyrazol-4-yl)methyl]-1,4-diazepane Formula: C16H22BrClN4S MolecularWeight: 417.79468

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1CN2CCCN(CC2)CC3=C(C=CS3)Br)Cl)C

Isomeric SMILES

CC1=NN(C(=C1CN2CCCN(CC2)CC3=C(C=CS3)Br)Cl)C

InChI

InChI=1S/C16H22BrClN4S/c1-12-13(16(18)20(2)19-12)10-21-5-3-6-22(8-7-21)11-15-14(17)4-9-23-15/h4,9H,3,5-8,10-11H2,1-2H3