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

Systemtic Name: 2-[[4-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl]-1,4-diazepan-1-yl]methyl]-1,3-thiazole Openeye Name: 2-[[4-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl]-1,4-diazepan-1-yl]methyl]thiazole CAS Name: 2-[[4-[(3,5-dimethyl-1-phenyl-4-pyrazolyl)methyl]-1,4-diazepan-1-yl]methyl]thiazole IUPAC Name: 2-[[4-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-1,4-diazepan-1-yl]methyl]-1,3-thiazole Traditional Name: 2-[[4-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl]-1,4-diazepan-1-yl]methyl]thiazole Formula: C21H27N5S MolecularWeight: 381.53758

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=CC=C2)C)CN3CCCN(CC3)CC4=NC=CS4

Isomeric SMILES

CC1=C(C(=NN1C2=CC=CC=C2)C)CN3CCCN(CC3)CC4=NC=CS4

InChI

InChI=1S/C21H27N5S/c1-17-20(18(2)26(23-17)19-7-4-3-5-8-19)15-24-10-6-11-25(13-12-24)16-21-22-9-14-27-21/h3-5,7-9,14H,6,10-13,15-16H2,1-2H3