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

Systemtic Name: 1-[(5-bromanylthiophen-2-yl)methyl]-4-[(5-chloranyl-1,3-dimethyl-pyrazol-4-yl)methyl]-1,4-diazepane Openeye Name: 1-[(5-bromo-2-thienyl)methyl]-4-[(5-chloro-1,3-dimethyl-pyrazol-4-yl)methyl]-1,4-diazepane CAS Name: 1-[(5-bromo-2-thiophenyl)methyl]-4-[(5-chloro-1,3-dimethyl-4-pyrazolyl)methyl]-1,4-diazepane IUPAC Name: 1-[(5-bromothiophen-2-yl)methyl]-4-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-1,4-diazepane Traditional Name: 1-[(5-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=CC=C(S3)Br)Cl)C

Isomeric SMILES

CC1=NN(C(=C1CN2CCCN(CC2)CC3=CC=C(S3)Br)Cl)C

InChI

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