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

Systemtic Name: (phenylmethyl) N-[5,9-dimethyl-2-oxidanylidene-1-(2-oxidanylidenepropyl)-3H-1,4-benzodiazepin-3-yl]carbamate Openeye Name: benzyl N-(1-acetonyl-5,9-dimethyl-2-oxo-3H-1,4-benzodiazepin-3-yl)carbamate CAS Name: N-[5,9-dimethyl-2-oxo-1-(2-oxopropyl)-3H-1,4-benzodiazepin-3-yl]carbamic acid (phenylmethyl) ester IUPAC Name: benzyl N-[5,9-dimethyl-2-oxo-1-(2-oxopropyl)-3H-1,4-benzodiazepin-3-yl]carbamate Traditional Name: N-(1-acetonyl-2-keto-5,9-dimethyl-3H-1,4-benzodiazepin-3-yl)carbamic acid benzyl ester Formula: C22H23N3O4 MolecularWeight: 393.43572

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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)C

Isomeric SMILES

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

InChI

InChI=1S/C22H23N3O4/c1-14-8-7-11-18-16(3)23-20(21(27)25(19(14)18)12-15(2)26)24-22(28)29-13-17-9-5-4-6-10-17/h4-11,20H,12-13H2,1-3H3,(H,24,28)