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

Systemtic Name: 1-[4-(pyridin-4-ylmethyl)-1,4-diazepan-1-yl]-2-(3-thiophen-2-ylpyrazol-1-yl)ethanone Openeye Name: 1-[4-(4-pyridylmethyl)-1,4-diazepan-1-yl]-2-[3-(2-thienyl)pyrazol-1-yl]ethanone CAS Name: 1-[4-(pyridin-4-ylmethyl)-1,4-diazepan-1-yl]-2-(3-thiophen-2-yl-1-pyrazolyl)ethanone IUPAC Name: 1-[4-(pyridin-4-ylmethyl)-1,4-diazepan-1-yl]-2-(3-thiophen-2-ylpyrazol-1-yl)ethanone Traditional Name: 1-[4-(4-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=CC=NC=C4

Isomeric SMILES

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

InChI

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