1-(azepan-1-yl)-2-[4-(4-thiophen-2-ylpyrimidin-2-yl)phenoxy]ethanone

Systemtic Name: 1-(azepan-1-yl)-2-[4-(4-thiophen-2-ylpyrimidin-2-yl)phenoxy]ethanone Openeye Name: 1-(azepan-1-yl)-2-[4-[4-(2-thienyl)pyrimidin-2-yl]phenoxy]ethanone CAS Name: 1-(1-azepanyl)-2-[4-(4-thiophen-2-yl-2-pyrimidinyl)phenoxy]ethanone IUPAC Name: 1-(azepan-1-yl)-2-[4-(4-thiophen-2-ylpyrimidin-2-yl)phenoxy]ethanone Traditional Name: 1-(azepan-1-yl)-2-[4-[4-(2-thienyl)pyrimidin-2-yl]phenoxy]ethanone Formula: C22H23N3O2S MolecularWeight: 393.50192

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)COC2=CC=C(C=C2)C3=NC=CC(=N3)C4=CC=CS4

Isomeric SMILES

C1CCCN(CC1)C(=O)COC2=CC=C(C=C2)C3=NC=CC(=N3)C4=CC=CS4

InChI

InChI=1S/C22H23N3O2S/c26-21(25-13-3-1-2-4-14-25)16-27-18-9-7-17(8-10-18)22-23-12-11-19(24-22)20-6-5-15-28-20/h5-12,15H,1-4,13-14,16H2