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

Systemtic Name: N-(2-azanylcyclohexyl)-4-oxidanylidene-2-phenyl-1-(2-thiophen-2-ylethanoyl)-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide Openeye Name: N-(2-aminocyclohexyl)-4-oxo-2-phenyl-1-[2-(2-thienyl)acetyl]-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide CAS Name: N-(2-aminocyclohexyl)-4-oxo-1-(1-oxo-2-thiophen-2-ylethyl)-2-phenyl-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide IUPAC Name: N-(2-aminocyclohexyl)-4-oxo-2-phenyl-1-(2-thiophen-2-ylacetyl)-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide Traditional Name: N-(2-aminocyclohexyl)-4-keto-2-phenyl-1-[2-(2-thienyl)acetyl]-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide Formula: C28H30N4O3S MolecularWeight: 502.6278

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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=CC=C4)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=CC=C4)C(=O)CC5=CC=CS5

InChI

InChI=1S/C28H30N4O3S/c29-21-10-4-5-11-22(21)31-28(35)19-12-13-24-23(15-19)30-26(33)17-25(18-7-2-1-3-8-18)32(24)27(34)16-20-9-6-14-36-20/h1-3,6-9,12-15,21-22,25H,4-5,10-11,16-17,29H2,(H,30,33)(H,31,35)