2-fluoranyl-N-[6-[4-(thiophen-2-ylmethyl)-1,4-diazepan-1-yl]pyridin-3-yl]benzamide

Systemtic Name: 2-fluoranyl-N-[6-[4-(thiophen-2-ylmethyl)-1,4-diazepan-1-yl]pyridin-3-yl]benzamide Openeye Name: 2-fluoro-N-[6-[4-(2-thienylmethyl)-1,4-diazepan-1-yl]-3-pyridyl]benzamide CAS Name: 2-fluoro-N-[6-[4-(thiophen-2-ylmethyl)-1,4-diazepan-1-yl]-3-pyridinyl]benzamide IUPAC Name: 2-fluoro-N-[6-[4-(thiophen-2-ylmethyl)-1,4-diazepan-1-yl]pyridin-3-yl]benzamide Traditional Name: 2-fluoro-N-[6-[4-(2-thenyl)-1,4-diazepan-1-yl]-3-pyridyl]benzamide Formula: C22H23FN4OS MolecularWeight: 410.507623

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C2=NC=C(C=C2)NC(=O)C3=CC=CC=C3F)CC4=CC=CS4

Isomeric SMILES

C1CN(CCN(C1)C2=NC=C(C=C2)NC(=O)C3=CC=CC=C3F)CC4=CC=CS4

InChI

InChI=1S/C22H23FN4OS/c23-20-7-2-1-6-19(20)22(28)25-17-8-9-21(24-15-17)27-11-4-10-26(12-13-27)16-18-5-3-14-29-18/h1-3,5-9,14-15H,4,10-13,16H2,(H,25,28)