1-[4-(pyridin-3-ylmethyl)-1,4-diazepan-1-yl]-2-(3-thiophen-2-ylpyrazol-1-yl)ethanone

Systemtic Name: 1-[4-(pyridin-3-ylmethyl)-1,4-diazepan-1-yl]-2-(3-thiophen-2-ylpyrazol-1-yl)ethanone Openeye Name: 1-[4-(3-pyridylmethyl)-1,4-diazepan-1-yl]-2-[3-(2-thienyl)pyrazol-1-yl]ethanone CAS Name: 1-[4-(3-pyridinylmethyl)-1,4-diazepan-1-yl]-2-(3-thiophen-2-yl-1-pyrazolyl)ethanone IUPAC Name: 1-[4-(pyridin-3-ylmethyl)-1,4-diazepan-1-yl]-2-(3-thiophen-2-ylpyrazol-1-yl)ethanone Traditional Name: 1-[4-(3-pyridylmethyl)-1,4-diazepan-1-yl]-2-[3-(2-thienyl)pyrazol-1-yl]ethanone Formula: C20H23N5OS MolecularWeight: 381.49452

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=O)CN2C=CC(=N2)C3=CC=CS3)CC4=CN=CC=C4

Isomeric SMILES

C1CN(CCN(C1)C(=O)CN2C=CC(=N2)C3=CC=CS3)CC4=CN=CC=C4

InChI

InChI=1S/C20H23N5OS/c26-20(16-25-10-6-18(22-25)19-5-2-13-27-19)24-9-3-8-23(11-12-24)15-17-4-1-7-21-14-17/h1-2,4-7,10,13-14H,3,8-9,11-12,15-16H2