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

Systemtic Name: 4-fluoranyl-N-[3-[[4-(thiophen-2-ylmethyl)-1,4-diazepan-1-yl]carbonyl]phenyl]benzamide Openeye Name: 4-fluoro-N-[3-[4-(2-thienylmethyl)-1,4-diazepane-1-carbonyl]phenyl]benzamide CAS Name: 4-fluoro-N-[3-[oxo-[4-(thiophen-2-ylmethyl)-1,4-diazepan-1-yl]methyl]phenyl]benzamide IUPAC Name: 4-fluoro-N-[3-[4-(thiophen-2-ylmethyl)-1,4-diazepane-1-carbonyl]phenyl]benzamide Traditional Name: 4-fluoro-N-[3-[4-(2-thenyl)-1,4-diazepane-1-carbonyl]phenyl]benzamide Formula: C24H24FN3O2S MolecularWeight: 437.529663

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H24FN3O2S/c25-20-9-7-18(8-10-20)23(29)26-21-5-1-4-19(16-21)24(30)28-12-3-11-27(13-14-28)17-22-6-2-15-31-22/h1-2,4-10,15-16H,3,11-14,17H2,(H,26,29)