4-[[2-(4-methoxyphenyl)azepan-1-yl]methyl]-2-(1-methylpyrazol-4-yl)-1,3-thiazole

Systemtic Name: 4-[[2-(4-methoxyphenyl)azepan-1-yl]methyl]-2-(1-methylpyrazol-4-yl)-1,3-thiazole Openeye Name: 4-[[2-(4-methoxyphenyl)azepan-1-yl]methyl]-2-(1-methylpyrazol-4-yl)thiazole CAS Name: 4-[[2-(4-methoxyphenyl)-1-azepanyl]methyl]-2-(1-methyl-4-pyrazolyl)thiazole IUPAC Name: 4-[[2-(4-methoxyphenyl)azepan-1-yl]methyl]-2-(1-methylpyrazol-4-yl)-1,3-thiazole Traditional Name: 4-[[2-(4-methoxyphenyl)azepan-1-yl]methyl]-2-(1-methylpyrazol-4-yl)thiazole Formula: C21H26N4OS MolecularWeight: 382.52234

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=N1)C2=NC(=CS2)CN3CCCCCC3C4=CC=C(C=C4)OC

Isomeric SMILES

CN1C=C(C=N1)C2=NC(=CS2)CN3CCCCCC3C4=CC=C(C=C4)OC

InChI

InChI=1S/C21H26N4OS/c1-24-13-17(12-22-24)21-23-18(15-27-21)14-25-11-5-3-4-6-20(25)16-7-9-19(26-2)10-8-16/h7-10,12-13,15,20H,3-6,11,14H2,1-2H3