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

Systemtic Name: (phenylmethyl) N-[1-[2-(1-adamantyl)-2-oxidanylidene-ethyl]-2-oxidanylidene-5-phenyl-3H-1,4-benzodiazepin-3-yl]carbamate Openeye Name: benzyl N-[1-[2-(1-adamantyl)-2-oxo-ethyl]-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl]carbamate CAS Name: N-[1-[2-(1-adamantyl)-2-oxoethyl]-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl]carbamic acid (phenylmethyl) ester IUPAC Name: benzyl N-[1-[2-(1-adamantyl)-2-oxoethyl]-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl]carbamate Traditional Name: N-[1-[2-(1-adamantyl)-2-keto-ethyl]-2-keto-5-phenyl-3H-1,4-benzodiazepin-3-yl]carbamic acid benzyl ester Formula: C35H35N3O4 MolecularWeight: 561.6701

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C(=O)CN4C5=CC=CC=C5C(=NC(C4=O)NC(=O)OCC6=CC=CC=C6)C7=CC=CC=C7

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C(=O)CN4C5=CC=CC=C5C(=NC(C4=O)NC(=O)OCC6=CC=CC=C6)C7=CC=CC=C7

InChI

InChI=1S/C35H35N3O4/c39-30(35-18-24-15-25(19-35)17-26(16-24)20-35)21-38-29-14-8-7-13-28(29)31(27-11-5-2-6-12-27)36-32(33(38)40)37-34(41)42-22-23-9-3-1-4-10-23/h1-14,24-26,32H,15-22H2,(H,37,41)