3-methyl-N-[2-[1-(4,5,6,7-tetrahydro-2-benzothiophen-1-ylcarbonyl)piperidin-4-yl]pyrazol-3-yl]butanamide

Systemtic Name: 3-methyl-N-[2-[1-(4,5,6,7-tetrahydro-2-benzothiophen-1-ylcarbonyl)piperidin-4-yl]pyrazol-3-yl]butanamide Openeye Name: 3-methyl-N-[2-[1-(4,5,6,7-tetrahydro-2-benzothiophene-1-carbonyl)-4-piperidyl]pyrazol-3-yl]butanamide CAS Name: 3-methyl-N-[2-[1-[oxo(4,5,6,7-tetrahydro-2-benzothiophen-1-yl)methyl]-4-piperidinyl]-3-pyrazolyl]butanamide IUPAC Name: 3-methyl-N-[2-[1-(4,5,6,7-tetrahydro-2-benzothiophene-1-carbonyl)piperidin-4-yl]pyrazol-3-yl]butanamide Traditional Name: 3-methyl-N-[2-[1-(4,5,6,7-tetrahydroisobenzothiophene-1-carbonyl)-4-piperidyl]pyrazol-3-yl]butyramide Formula: C22H30N4O2S MolecularWeight: 414.5642

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)NC1=CC=NN1C2CCN(CC2)C(=O)C3=C4CCCCC4=CS3

Isomeric SMILES

CC(C)CC(=O)NC1=CC=NN1C2CCN(CC2)C(=O)C3=C4CCCCC4=CS3

InChI

InChI=1S/C22H30N4O2S/c1-15(2)13-20(27)24-19-7-10-23-26(19)17-8-11-25(12-9-17)22(28)21-18-6-4-3-5-16(18)14-29-21/h7,10,14-15,17H,3-6,8-9,11-13H2,1-2H3,(H,24,27)