(phenylmethyl) N-[1-(2-cyclohexyl-2-oxidanylidene-ethyl)-2-oxidanylidene-5-phenyl-3H-1,4-benzodiazepin-3-yl]carbamate

Systemtic Name: (phenylmethyl) N-[1-(2-cyclohexyl-2-oxidanylidene-ethyl)-2-oxidanylidene-5-phenyl-3H-1,4-benzodiazepin-3-yl]carbamate Openeye Name: benzyl N-[1-(2-cyclohexyl-2-oxo-ethyl)-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl]carbamate CAS Name: N-[1-(2-cyclohexyl-2-oxoethyl)-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl]carbamic acid (phenylmethyl) ester IUPAC Name: benzyl N-[1-(2-cyclohexyl-2-oxoethyl)-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl]carbamate Traditional Name: N-[1-(2-cyclohexyl-2-keto-ethyl)-2-keto-5-phenyl-3H-1,4-benzodiazepin-3-yl]carbamic acid benzyl ester Formula: C31H31N3O4 MolecularWeight: 509.59554

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C(=O)CN2C3=CC=CC=C3C(=NC(C2=O)NC(=O)OCC4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

C1CCC(CC1)C(=O)CN2C3=CC=CC=C3C(=NC(C2=O)NC(=O)OCC4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C31H31N3O4/c35-27(23-14-6-2-7-15-23)20-34-26-19-11-10-18-25(26)28(24-16-8-3-9-17-24)32-29(30(34)36)33-31(37)38-21-22-12-4-1-5-13-22/h1,3-5,8-13,16-19,23,29H,2,6-7,14-15,20-21H2,(H,33,37)