azepan-1-yl-[4-[(4-chloranyl-3,5-dimethyl-pyrazol-1-yl)methyl]thiophen-2-yl]methanone

Systemtic Name: azepan-1-yl-[4-[(4-chloranyl-3,5-dimethyl-pyrazol-1-yl)methyl]thiophen-2-yl]methanone Openeye Name: azepan-1-yl-[4-[(4-chloro-3,5-dimethyl-pyrazol-1-yl)methyl]-2-thienyl]methanone CAS Name: 1-azepanyl-[4-[(4-chloro-3,5-dimethyl-1-pyrazolyl)methyl]-2-thiophenyl]methanone IUPAC Name: azepan-1-yl-[4-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]thiophen-2-yl]methanone Traditional Name: azepan-1-yl-[4-[(4-chloro-3,5-dimethyl-pyrazol-1-yl)methyl]-2-thienyl]methanone Formula: C17H22ClN3OS MolecularWeight: 351.89408

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC2=CSC(=C2)C(=O)N3CCCCCC3)C)Cl

Isomeric SMILES

CC1=C(C(=NN1CC2=CSC(=C2)C(=O)N3CCCCCC3)C)Cl

InChI

InChI=1S/C17H22ClN3OS/c1-12-16(18)13(2)21(19-12)10-14-9-15(23-11-14)17(22)20-7-5-3-4-6-8-20/h9,11H,3-8,10H2,1-2H3