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

Systemtic Name: (phenylmethyl) N-[1-(2-cycloheptyl-2-oxidanylidene-ethyl)-5,9-dimethyl-2-oxidanylidene-3H-1,4-benzodiazepin-3-yl]carbamate Openeye Name: benzyl N-[1-(2-cycloheptyl-2-oxo-ethyl)-5,9-dimethyl-2-oxo-3H-1,4-benzodiazepin-3-yl]carbamate CAS Name: N-[1-(2-cycloheptyl-2-oxoethyl)-5,9-dimethyl-2-oxo-3H-1,4-benzodiazepin-3-yl]carbamic acid (phenylmethyl) ester IUPAC Name: benzyl N-[1-(2-cycloheptyl-2-oxoethyl)-5,9-dimethyl-2-oxo-3H-1,4-benzodiazepin-3-yl]carbamate Traditional Name: N-[1-(2-cycloheptyl-2-keto-ethyl)-2-keto-5,9-dimethyl-3H-1,4-benzodiazepin-3-yl]carbamic acid benzyl ester Formula: C28H33N3O4 MolecularWeight: 475.57932

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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)C4CCCCCC4

Isomeric SMILES

CC1=CC=CC2=C1N(C(=O)C(N=C2C)NC(=O)OCC3=CC=CC=C3)CC(=O)C4CCCCCC4

InChI

InChI=1S/C28H33N3O4/c1-19-11-10-16-23-20(2)29-26(30-28(34)35-18-21-12-6-5-7-13-21)27(33)31(25(19)23)17-24(32)22-14-8-3-4-9-15-22/h5-7,10-13,16,22,26H,3-4,8-9,14-15,17-18H2,1-2H3,(H,30,34)