4-[(5-chloranyl-1,3-dimethyl-pyrazol-4-yl)methyl]-N-(2-thiophen-2-ylethyl)-1,4-diazepane-1-carboxamide

Systemtic Name: 4-[(5-chloranyl-1,3-dimethyl-pyrazol-4-yl)methyl]-N-(2-thiophen-2-ylethyl)-1,4-diazepane-1-carboxamide Openeye Name: 4-[(5-chloro-1,3-dimethyl-pyrazol-4-yl)methyl]-N-[2-(2-thienyl)ethyl]-1,4-diazepane-1-carboxamide CAS Name: 4-[(5-chloro-1,3-dimethyl-4-pyrazolyl)methyl]-N-(2-thiophen-2-ylethyl)-1,4-diazepane-1-carboxamide IUPAC Name: 4-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-N-(2-thiophen-2-ylethyl)-1,4-diazepane-1-carboxamide Traditional Name: 4-[(5-chloro-1,3-dimethyl-pyrazol-4-yl)methyl]-N-[2-(2-thienyl)ethyl]-1,4-diazepane-1-carboxamide Formula: C18H26ClN5OS MolecularWeight: 395.94994

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1CN2CCCN(CC2)C(=O)NCCC3=CC=CS3)Cl)C

Isomeric SMILES

CC1=NN(C(=C1CN2CCCN(CC2)C(=O)NCCC3=CC=CS3)Cl)C

InChI

InChI=1S/C18H26ClN5OS/c1-14-16(17(19)22(2)21-14)13-23-8-4-9-24(11-10-23)18(25)20-7-6-15-5-3-12-26-15/h3,5,12H,4,6-11,13H2,1-2H3,(H,20,25)