N-[6-[4-(4-fluorophenyl)carbonyl-1,4-diazepan-1-yl]pyridin-3-yl]-2-thiophen-2-yl-ethanamide

Systemtic Name: N-[6-[4-(4-fluorophenyl)carbonyl-1,4-diazepan-1-yl]pyridin-3-yl]-2-thiophen-2-yl-ethanamide Openeye Name: N-[6-[4-(4-fluorobenzoyl)-1,4-diazepan-1-yl]-3-pyridyl]-2-(2-thienyl)acetamide CAS Name: N-[6-[4-[(4-fluorophenyl)-oxomethyl]-1,4-diazepan-1-yl]-3-pyridinyl]-2-thiophen-2-ylacetamide IUPAC Name: N-[6-[4-(4-fluorobenzoyl)-1,4-diazepan-1-yl]pyridin-3-yl]-2-thiophen-2-ylacetamide Traditional Name: N-[6-[4-(4-fluorobenzoyl)-1,4-diazepan-1-yl]-3-pyridyl]-2-(2-thienyl)acetamide Formula: C23H23FN4O2S MolecularWeight: 438.517723

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=O)C2=CC=C(C=C2)F)C3=NC=C(C=C3)NC(=O)CC4=CC=CS4

Isomeric SMILES

C1CN(CCN(C1)C(=O)C2=CC=C(C=C2)F)C3=NC=C(C=C3)NC(=O)CC4=CC=CS4

InChI

InChI=1S/C23H23FN4O2S/c24-18-6-4-17(5-7-18)23(30)28-11-2-10-27(12-13-28)21-9-8-19(16-25-21)26-22(29)15-20-3-1-14-31-20/h1,3-9,14,16H,2,10-13,15H2,(H,26,29)