2-[5-(2-chlorophenyl)-3-ethyl-2-oxidanylidene-3H-1,4-benzodiazepin-1-yl]-2-methyl-propanoic acid

Systemtic Name: 2-[5-(2-chlorophenyl)-3-ethyl-2-oxidanylidene-3H-1,4-benzodiazepin-1-yl]-2-methyl-propanoic acid Openeye Name: 2-[5-(2-chlorophenyl)-3-ethyl-2-oxo-3H-1,4-benzodiazepin-1-yl]-2-methyl-propanoic acid CAS Name: 2-[5-(2-chlorophenyl)-3-ethyl-2-oxo-3H-1,4-benzodiazepin-1-yl]-2-methylpropanoic acid IUPAC Name: 2-[5-(2-chlorophenyl)-3-ethyl-2-oxo-3H-1,4-benzodiazepin-1-yl]-2-methylpropanoic acid Traditional Name: 2-[5-(2-chlorophenyl)-3-ethyl-2-keto-3H-1,4-benzodiazepin-1-yl]-2-methyl-propionic acid Formula: C21H21ClN2O3 MolecularWeight: 384.85604

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1C(=O)N(C2=CC=CC=C2C(=N1)C3=CC=CC=C3Cl)C(C)(C)C(=O)O

Isomeric SMILES

CCC1C(=O)N(C2=CC=CC=C2C(=N1)C3=CC=CC=C3Cl)C(C)(C)C(=O)O

InChI

InChI=1S/C21H21ClN2O3/c1-4-16-19(25)24(21(2,3)20(26)27)17-12-8-6-10-14(17)18(23-16)13-9-5-7-11-15(13)22/h5-12,16H,4H2,1-3H3,(H,26,27)