(phenylmethyl) N-[1-(2-cyclooctyl-2-oxidanylidene-ethyl)-5,9-dimethyl-2-oxidanylidene-3H-1,4-benzodiazepin-3-yl]carbamate

Systemtic Name: (phenylmethyl) N-[1-(2-cyclooctyl-2-oxidanylidene-ethyl)-5,9-dimethyl-2-oxidanylidene-3H-1,4-benzodiazepin-3-yl]carbamate Openeye Name: benzyl N-[1-(2-cyclooctyl-2-oxo-ethyl)-5,9-dimethyl-2-oxo-3H-1,4-benzodiazepin-3-yl]carbamate CAS Name: N-[1-(2-cyclooctyl-2-oxoethyl)-5,9-dimethyl-2-oxo-3H-1,4-benzodiazepin-3-yl]carbamic acid (phenylmethyl) ester IUPAC Name: benzyl N-[1-(2-cyclooctyl-2-oxoethyl)-5,9-dimethyl-2-oxo-3H-1,4-benzodiazepin-3-yl]carbamate Traditional Name: N-[1-(2-cyclooctyl-2-keto-ethyl)-2-keto-5,9-dimethyl-3H-1,4-benzodiazepin-3-yl]carbamic acid benzyl ester Formula: C29H35N3O4 MolecularWeight: 489.6059

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=C1N(C(=O)C(N=C2C)NC(=O)OCC3=CC=CC=C3)CC(=O)C4CCCCCCC4

Isomeric SMILES

CC1=CC=CC2=C1N(C(=O)C(N=C2C)NC(=O)OCC3=CC=CC=C3)CC(=O)C4CCCCCCC4

InChI

InChI=1S/C29H35N3O4/c1-20-12-11-17-24-21(2)30-27(31-29(35)36-19-22-13-7-6-8-14-22)28(34)32(26(20)24)18-25(33)23-15-9-4-3-5-10-16-23/h6-8,11-14,17,23,27H,3-5,9-10,15-16,18-19H2,1-2H3,(H,31,35)