2-[4-[2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]pyridin-3-yl]carbonylpiperazin-1-yl]-1-piperidin-1-yl-ethanone

Systemtic Name: 2-[4-[2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]pyridin-3-yl]carbonylpiperazin-1-yl]-1-piperidin-1-yl-ethanone Openeye Name: 2-[4-[2-[(5-methylisoxazol-3-yl)methylsulfanyl]pyridine-3-carbonyl]piperazin-1-yl]-1-(1-piperidyl)ethanone CAS Name: 2-[4-[[2-[(5-methyl-3-isoxazolyl)methylthio]-3-pyridinyl]-oxomethyl]-1-piperazinyl]-1-(1-piperidinyl)ethanone IUPAC Name: 2-[4-[2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]pyridine-3-carbonyl]piperazin-1-yl]-1-piperidin-1-ylethanone Traditional Name: 2-[4-[2-[(5-methylisoxazol-3-yl)methylthio]nicotinoyl]piperazino]-1-piperidino-ethanone Formula: C22H29N5O3S MolecularWeight: 443.56236

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NO1)CSC2=C(C=CC=N2)C(=O)N3CCN(CC3)CC(=O)N4CCCCC4

Isomeric SMILES

CC1=CC(=NO1)CSC2=C(C=CC=N2)C(=O)N3CCN(CC3)CC(=O)N4CCCCC4

InChI

InChI=1S/C22H29N5O3S/c1-17-14-18(24-30-17)16-31-21-19(6-5-7-23-21)22(29)27-12-10-25(11-13-27)15-20(28)26-8-3-2-4-9-26/h5-7,14H,2-4,8-13,15-16H2,1H3