1-[4-[(6-methylpyridin-2-yl)methyl]-1,4-diazepan-1-yl]-2-(3-thiophen-2-ylpyrazol-1-yl)ethanone

Systemtic Name: 1-[4-[(6-methylpyridin-2-yl)methyl]-1,4-diazepan-1-yl]-2-(3-thiophen-2-ylpyrazol-1-yl)ethanone Openeye Name: 1-[4-[(6-methyl-2-pyridyl)methyl]-1,4-diazepan-1-yl]-2-[3-(2-thienyl)pyrazol-1-yl]ethanone CAS Name: 1-[4-[(6-methyl-2-pyridinyl)methyl]-1,4-diazepan-1-yl]-2-(3-thiophen-2-yl-1-pyrazolyl)ethanone IUPAC Name: 1-[4-[(6-methylpyridin-2-yl)methyl]-1,4-diazepan-1-yl]-2-(3-thiophen-2-ylpyrazol-1-yl)ethanone Traditional Name: 1-[4-[(6-methyl-2-pyridyl)methyl]-1,4-diazepan-1-yl]-2-[3-(2-thienyl)pyrazol-1-yl]ethanone Formula: C21H25N5OS MolecularWeight: 395.5211

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CC=C1)CN2CCCN(CC2)C(=O)CN3C=CC(=N3)C4=CC=CS4

Isomeric SMILES

CC1=NC(=CC=C1)CN2CCCN(CC2)C(=O)CN3C=CC(=N3)C4=CC=CS4

InChI

InChI=1S/C21H25N5OS/c1-17-5-2-6-18(22-17)15-24-9-4-10-25(13-12-24)21(27)16-26-11-8-19(23-26)20-7-3-14-28-20/h2-3,5-8,11,14H,4,9-10,12-13,15-16H2,1H3