N-(4-azanylcyclohexyl)-2-(4-fluorophenyl)-4-oxidanylidene-1-(2-thiophen-2-ylethanoyl)-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide

Systemtic Name: N-(4-azanylcyclohexyl)-2-(4-fluorophenyl)-4-oxidanylidene-1-(2-thiophen-2-ylethanoyl)-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide Openeye Name: N-(4-aminocyclohexyl)-2-(4-fluorophenyl)-4-oxo-1-[2-(2-thienyl)acetyl]-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide CAS Name: N-(4-aminocyclohexyl)-2-(4-fluorophenyl)-4-oxo-1-(1-oxo-2-thiophen-2-ylethyl)-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide IUPAC Name: N-(4-aminocyclohexyl)-2-(4-fluorophenyl)-4-oxo-1-(2-thiophen-2-ylacetyl)-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide Traditional Name: N-(4-aminocyclohexyl)-2-(4-fluorophenyl)-4-keto-1-[2-(2-thienyl)acetyl]-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide Formula: C28H29FN4O3S MolecularWeight: 520.618263

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCC1N)NC(=O)C2=CC3=C(C=C2)N(C(CC(=O)N3)C4=CC=C(C=C4)F)C(=O)CC5=CC=CS5

Isomeric SMILES

C1CC(CCC1N)NC(=O)C2=CC3=C(C=C2)N(C(CC(=O)N3)C4=CC=C(C=C4)F)C(=O)CC5=CC=CS5

InChI

InChI=1S/C28H29FN4O3S/c29-19-6-3-17(4-7-19)25-16-26(34)32-23-14-18(28(36)31-21-10-8-20(30)9-11-21)5-12-24(23)33(25)27(35)15-22-2-1-13-37-22/h1-7,12-14,20-21,25H,8-11,15-16,30H2,(H,31,36)(H,32,34)