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

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

C1CCC(C(C1)N)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

C1CCC(C(C1)N)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/c29-19-10-7-17(8-11-19)25-16-26(34)31-23-14-18(28(36)32-22-6-2-1-5-21(22)30)9-12-24(23)33(25)27(35)15-20-4-3-13-37-20/h3-4,7-14,21-22,25H,1-2,5-6,15-16,30H2,(H,31,34)(H,32,36)