4-[[4-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl]-1,4-diazepan-1-yl]methyl]-2-methyl-1,3-thiazole

Systemtic Name: 4-[[4-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl]-1,4-diazepan-1-yl]methyl]-2-methyl-1,3-thiazole Openeye Name: 4-[[4-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl]-1,4-diazepan-1-yl]methyl]-2-methyl-thiazole CAS Name: 4-[[4-[(3,5-dimethyl-1-phenyl-4-pyrazolyl)methyl]-1,4-diazepan-1-yl]methyl]-2-methylthiazole IUPAC Name: 4-[[4-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-1,4-diazepan-1-yl]methyl]-2-methyl-1,3-thiazole Traditional Name: 4-[[4-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl]-1,4-diazepan-1-yl]methyl]-2-methyl-thiazole Formula: C22H29N5S MolecularWeight: 395.56416

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=CC=C2)C)CN3CCCN(CC3)CC4=CSC(=N4)C

Isomeric SMILES

CC1=C(C(=NN1C2=CC=CC=C2)C)CN3CCCN(CC3)CC4=CSC(=N4)C

InChI

InChI=1S/C22H29N5S/c1-17-22(18(2)27(24-17)21-8-5-4-6-9-21)15-26-11-7-10-25(12-13-26)14-20-16-28-19(3)23-20/h4-6,8-9,16H,7,10-15H2,1-3H3