N-[2-[1-(2,1,3-benzothiadiazol-5-ylmethyl)piperidin-4-yl]pyrazol-3-yl]-3-methyl-butanamide

Systemtic Name: N-[2-[1-(2,1,3-benzothiadiazol-5-ylmethyl)piperidin-4-yl]pyrazol-3-yl]-3-methyl-butanamide Openeye Name: N-[2-[1-(2,1,3-benzothiadiazol-5-ylmethyl)-4-piperidyl]pyrazol-3-yl]-3-methyl-butanamide CAS Name: N-[2-[1-(2,1,3-benzothiadiazol-5-ylmethyl)-4-piperidinyl]-3-pyrazolyl]-3-methylbutanamide IUPAC Name: N-[2-[1-(2,1,3-benzothiadiazol-5-ylmethyl)piperidin-4-yl]pyrazol-3-yl]-3-methylbutanamide Traditional Name: 3-methyl-N-[2-[1-(piazthiol-5-ylmethyl)-4-piperidyl]pyrazol-3-yl]butyramide Formula: C20H26N6OS MolecularWeight: 398.52504

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)NC1=CC=NN1C2CCN(CC2)CC3=CC4=NSN=C4C=C3

Isomeric SMILES

CC(C)CC(=O)NC1=CC=NN1C2CCN(CC2)CC3=CC4=NSN=C4C=C3

InChI

InChI=1S/C20H26N6OS/c1-14(2)11-20(27)22-19-5-8-21-26(19)16-6-9-25(10-7-16)13-15-3-4-17-18(12-15)24-28-23-17/h3-5,8,12,14,16H,6-7,9-11,13H2,1-2H3,(H,22,27)