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

Systemtic Name: 1-[(5-chloranyl-1,3-dimethyl-pyrazol-4-yl)methyl]-4-[(3-methylthiophen-2-yl)methyl]-1,4-diazepane Openeye Name: 1-[(5-chloro-1,3-dimethyl-pyrazol-4-yl)methyl]-4-[(3-methyl-2-thienyl)methyl]-1,4-diazepane CAS Name: 1-[(5-chloro-1,3-dimethyl-4-pyrazolyl)methyl]-4-[(3-methyl-2-thiophenyl)methyl]-1,4-diazepane IUPAC Name: 1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-4-[(3-methylthiophen-2-yl)methyl]-1,4-diazepane Traditional Name: 1-[(5-chloro-1,3-dimethyl-pyrazol-4-yl)methyl]-4-[(3-methyl-2-thienyl)methyl]-1,4-diazepane Formula: C17H25ClN4S MolecularWeight: 352.9252

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC=C1)CN2CCCN(CC2)CC3=C(N(N=C3C)C)Cl

Isomeric SMILES

CC1=C(SC=C1)CN2CCCN(CC2)CC3=C(N(N=C3C)C)Cl

InChI

InChI=1S/C17H25ClN4S/c1-13-5-10-23-16(13)12-22-7-4-6-21(8-9-22)11-15-14(2)19-20(3)17(15)18/h5,10H,4,6-9,11-12H2,1-3H3