4-[3-methyl-2-oxidanylidene-7,8-di(propan-2-yl)-1,3-dihydro-1,4-benzodiazepin-5-yl]benzoic acid

Systemtic Name: 4-[3-methyl-2-oxidanylidene-7,8-di(propan-2-yl)-1,3-dihydro-1,4-benzodiazepin-5-yl]benzoic acid Openeye Name: 4-(7,8-diisopropyl-3-methyl-2-oxo-1,3-dihydro-1,4-benzodiazepin-5-yl)benzoic acid CAS Name: 4-[3-methyl-2-oxo-7,8-di(propan-2-yl)-1,3-dihydro-1,4-benzodiazepin-5-yl]benzoic acid IUPAC Name: 4-[3-methyl-2-oxo-7,8-di(propan-2-yl)-1,3-dihydro-1,4-benzodiazepin-5-yl]benzoic acid Traditional Name: 4-(7,8-diisopropyl-2-keto-3-methyl-1,3-dihydro-1,4-benzodiazepin-5-yl)benzoic acid Formula: C23H26N2O3 MolecularWeight: 378.46414

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1C(=O)NC2=CC(=C(C=C2C(=N1)C3=CC=C(C=C3)C(=O)O)C(C)C)C(C)C

Isomeric SMILES

CC1C(=O)NC2=CC(=C(C=C2C(=N1)C3=CC=C(C=C3)C(=O)O)C(C)C)C(C)C

InChI

InChI=1S/C23H26N2O3/c1-12(2)17-10-19-20(11-18(17)13(3)4)25-22(26)14(5)24-21(19)15-6-8-16(9-7-15)23(27)28/h6-14H,1-5H3,(H,25,26)(H,27,28)