(phenylmethyl) N-[(3R)-5-cycloheptyl-1-methyl-2-oxidanylidene-3H-1,4-benzodiazepin-3-yl]carbamate

Systemtic Name: (phenylmethyl) N-[(3R)-5-cycloheptyl-1-methyl-2-oxidanylidene-3H-1,4-benzodiazepin-3-yl]carbamate Openeye Name: benzyl N-[(3R)-5-cycloheptyl-1-methyl-2-oxo-3H-1,4-benzodiazepin-3-yl]carbamate CAS Name: N-[(3R)-5-cycloheptyl-1-methyl-2-oxo-3H-1,4-benzodiazepin-3-yl]carbamic acid (phenylmethyl) ester IUPAC Name: benzyl N-[(3R)-5-cycloheptyl-1-methyl-2-oxo-3H-1,4-benzodiazepin-3-yl]carbamate Traditional Name: N-[(3R)-5-cycloheptyl-2-keto-1-methyl-3H-1,4-benzodiazepin-3-yl]carbamic acid benzyl ester Formula: C25H29N3O3 MolecularWeight: 419.51606

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2C(=NC(C1=O)NC(=O)OCC3=CC=CC=C3)C4CCCCCC4

Isomeric SMILES

CN1C2=CC=CC=C2C(=N[C@H](C1=O)NC(=O)OCC3=CC=CC=C3)C4CCCCCC4

InChI

InChI=1S/C25H29N3O3/c1-28-21-16-10-9-15-20(21)22(19-13-7-2-3-8-14-19)26-23(24(28)29)27-25(30)31-17-18-11-5-4-6-12-18/h4-6,9-12,15-16,19,23H,2-3,7-8,13-14,17H2,1H3,(H,27,30)/t23-/m0/s1