2-[2,4-bis(oxidanylidene)-5-phenyl-3-(phenylcarbamoylamino)-1,5-benzodiazepin-1-yl]-N-cyclohexyl-N-phenyl-ethanamide

Systemtic Name: 2-[2,4-bis(oxidanylidene)-5-phenyl-3-(phenylcarbamoylamino)-1,5-benzodiazepin-1-yl]-N-cyclohexyl-N-phenyl-ethanamide Openeye Name: N-cyclohexyl-2-[2,4-dioxo-5-phenyl-3-(phenylcarbamoylamino)-1,5-benzodiazepin-1-yl]-N-phenyl-acetamide CAS Name: 2-[3-[[anilino(oxo)methyl]amino]-2,4-dioxo-5-phenyl-1,5-benzodiazepin-1-yl]-N-cyclohexyl-N-phenylacetamide IUPAC Name: N-cyclohexyl-2-[2,4-dioxo-5-phenyl-3-(phenylcarbamoylamino)-1,5-benzodiazepin-1-yl]-N-phenylacetamide Traditional Name: N-cyclohexyl-2-[2,4-diketo-5-phenyl-3-(phenylcarbamoylamino)-1,5-benzodiazepin-1-yl]-N-phenyl-acetamide Formula: C36H35N5O4 MolecularWeight: 601.6942

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N(C2=CC=CC=C2)C(=O)CN3C4=CC=CC=C4N(C(=O)C(C3=O)NC(=O)NC5=CC=CC=C5)C6=CC=CC=C6

Isomeric SMILES

C1CCC(CC1)N(C2=CC=CC=C2)C(=O)CN3C4=CC=CC=C4N(C(=O)C(C3=O)NC(=O)NC5=CC=CC=C5)C6=CC=CC=C6

InChI

InChI=1S/C36H35N5O4/c42-32(40(27-17-7-2-8-18-27)28-19-9-3-10-20-28)25-39-30-23-13-14-24-31(30)41(29-21-11-4-12-22-29)35(44)33(34(39)43)38-36(45)37-26-15-5-1-6-16-26/h1-2,4-8,11-18,21-24,28,33H,3,9-10,19-20,25H2,(H2,37,38,45)