(4,4-dimethylazepan-1-yl)-[5-(5-methyl-1H-pyrazol-4-yl)thiophen-3-yl]methanone

Systemtic Name: (4,4-dimethylazepan-1-yl)-[5-(5-methyl-1H-pyrazol-4-yl)thiophen-3-yl]methanone Openeye Name: (4,4-dimethylazepan-1-yl)-[5-(5-methyl-1H-pyrazol-4-yl)-3-thienyl]methanone CAS Name: (4,4-dimethyl-1-azepanyl)-[5-(5-methyl-1H-pyrazol-4-yl)-3-thiophenyl]methanone IUPAC Name: (4,4-dimethylazepan-1-yl)-[5-(5-methyl-1H-pyrazol-4-yl)thiophen-3-yl]methanone Traditional Name: (4,4-dimethylazepan-1-yl)-[5-(5-methyl-1H-pyrazol-4-yl)-3-thienyl]methanone Formula: C17H23N3OS MolecularWeight: 317.44902

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=NN1)C2=CC(=CS2)C(=O)N3CCCC(CC3)(C)C

Isomeric SMILES

CC1=C(C=NN1)C2=CC(=CS2)C(=O)N3CCCC(CC3)(C)C

InChI

InChI=1S/C17H23N3OS/c1-12-14(10-18-19-12)15-9-13(11-22-15)16(21)20-7-4-5-17(2,3)6-8-20/h9-11H,4-8H2,1-3H3,(H,18,19)