[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-(1-butyl-5-chloranyl-3-methyl-pyrazol-4-yl)methanone

Systemtic Name: [4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-(1-butyl-5-chloranyl-3-methyl-pyrazol-4-yl)methanone Openeye Name: [4-(1,3-benzothiazol-2-yl)-1-piperidyl]-(1-butyl-5-chloro-3-methyl-pyrazol-4-yl)methanone CAS Name: [4-(1,3-benzothiazol-2-yl)-1-piperidinyl]-(1-butyl-5-chloro-3-methyl-4-pyrazolyl)methanone IUPAC Name: [4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-(1-butyl-5-chloro-3-methylpyrazol-4-yl)methanone Traditional Name: [4-(1,3-benzothiazol-2-yl)piperidino]-(1-butyl-5-chloro-3-methyl-pyrazol-4-yl)methanone Formula: C21H25ClN4OS MolecularWeight: 416.9674

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=C(C(=N1)C)C(=O)N2CCC(CC2)C3=NC4=CC=CC=C4S3)Cl

Isomeric SMILES

CCCCN1C(=C(C(=N1)C)C(=O)N2CCC(CC2)C3=NC4=CC=CC=C4S3)Cl

InChI

InChI=1S/C21H25ClN4OS/c1-3-4-11-26-19(22)18(14(2)24-26)21(27)25-12-9-15(10-13-25)20-23-16-7-5-6-8-17(16)28-20/h5-8,15H,3-4,9-13H2,1-2H3