1-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]-1,4-diazepan-1-yl]-2-(3-thiophen-2-ylpyrazol-1-yl)ethanone

Systemtic Name: 1-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]-1,4-diazepan-1-yl]-2-(3-thiophen-2-ylpyrazol-1-yl)ethanone Openeye Name: 1-[4-[(5-methylisoxazol-3-yl)methyl]-1,4-diazepan-1-yl]-2-[3-(2-thienyl)pyrazol-1-yl]ethanone CAS Name: 1-[4-[(5-methyl-3-isoxazolyl)methyl]-1,4-diazepan-1-yl]-2-(3-thiophen-2-yl-1-pyrazolyl)ethanone IUPAC Name: 1-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]-1,4-diazepan-1-yl]-2-(3-thiophen-2-ylpyrazol-1-yl)ethanone Traditional Name: 1-[4-[(5-methylisoxazol-3-yl)methyl]-1,4-diazepan-1-yl]-2-[3-(2-thienyl)pyrazol-1-yl]ethanone Formula: C19H23N5O2S MolecularWeight: 385.48322

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NO1)CN2CCCN(CC2)C(=O)CN3C=CC(=N3)C4=CC=CS4

Isomeric SMILES

CC1=CC(=NO1)CN2CCCN(CC2)C(=O)CN3C=CC(=N3)C4=CC=CS4

InChI

InChI=1S/C19H23N5O2S/c1-15-12-16(21-26-15)13-22-6-3-7-23(10-9-22)19(25)14-24-8-5-17(20-24)18-4-2-11-27-18/h2,4-5,8,11-12H,3,6-7,9-10,13-14H2,1H3