1-[4-[(1-methylimidazol-2-yl)methyl]-1,4-diazepan-1-yl]-2-(5-methyl-2-phenyl-1,3-thiazol-4-yl)ethanone

Systemtic Name: 1-[4-[(1-methylimidazol-2-yl)methyl]-1,4-diazepan-1-yl]-2-(5-methyl-2-phenyl-1,3-thiazol-4-yl)ethanone Openeye Name: 1-[4-[(1-methylimidazol-2-yl)methyl]-1,4-diazepan-1-yl]-2-(5-methyl-2-phenyl-thiazol-4-yl)ethanone CAS Name: 1-[4-[(1-methyl-2-imidazolyl)methyl]-1,4-diazepan-1-yl]-2-(5-methyl-2-phenyl-4-thiazolyl)ethanone IUPAC Name: 1-[4-[(1-methylimidazol-2-yl)methyl]-1,4-diazepan-1-yl]-2-(5-methyl-2-phenyl-1,3-thiazol-4-yl)ethanone Traditional Name: 1-[4-[(1-methylimidazol-2-yl)methyl]-1,4-diazepan-1-yl]-2-(5-methyl-2-phenyl-thiazol-4-yl)ethanone Formula: C22H27N5OS MolecularWeight: 409.54768

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C(S1)C2=CC=CC=C2)CC(=O)N3CCCN(CC3)CC4=NC=CN4C

Isomeric SMILES

CC1=C(N=C(S1)C2=CC=CC=C2)CC(=O)N3CCCN(CC3)CC4=NC=CN4C

InChI

InChI=1S/C22H27N5OS/c1-17-19(24-22(29-17)18-7-4-3-5-8-18)15-21(28)27-11-6-10-26(13-14-27)16-20-23-9-12-25(20)2/h3-5,7-9,12H,6,10-11,13-16H2,1-2H3