2-[4-[(4-fluoranyl-3-methyl-1-benzothiophen-2-yl)carbonyl]piperazin-1-yl]pyridine-4-carbonitrile

Systemtic Name: 2-[4-[(4-fluoranyl-3-methyl-1-benzothiophen-2-yl)carbonyl]piperazin-1-yl]pyridine-4-carbonitrile Openeye Name: 2-[4-(4-fluoro-3-methyl-benzothiophene-2-carbonyl)piperazin-1-yl]pyridine-4-carbonitrile CAS Name: 2-[4-[(4-fluoro-3-methyl-1-benzothiophen-2-yl)-oxomethyl]-1-piperazinyl]-4-pyridinecarbonitrile IUPAC Name: 2-[4-(4-fluoro-3-methyl-1-benzothiophene-2-carbonyl)piperazin-1-yl]pyridine-4-carbonitrile Traditional Name: 2-[4-(4-fluoro-3-methyl-benzothiophene-2-carbonyl)piperazino]isonicotinonitrile Formula: C20H17FN4OS MolecularWeight: 380.438583

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=CC=CC(=C12)F)C(=O)N3CCN(CC3)C4=NC=CC(=C4)C#N

Isomeric SMILES

CC1=C(SC2=CC=CC(=C12)F)C(=O)N3CCN(CC3)C4=NC=CC(=C4)C#N

InChI

InChI=1S/C20H17FN4OS/c1-13-18-15(21)3-2-4-16(18)27-19(13)20(26)25-9-7-24(8-10-25)17-11-14(12-22)5-6-23-17/h2-6,11H,7-10H2,1H3