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

Systemtic Name: 4-[2-oxidanylidene-7,8-di(propan-2-yl)-1,3-dihydro-1,4-benzodiazepin-5-yl]benzoic acid Openeye Name: 4-(7,8-diisopropyl-2-oxo-1,3-dihydro-1,4-benzodiazepin-5-yl)benzoic acid CAS Name: 4-[2-oxo-7,8-di(propan-2-yl)-1,3-dihydro-1,4-benzodiazepin-5-yl]benzoic acid IUPAC Name: 4-[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-1,3-dihydro-1,4-benzodiazepin-5-yl)benzoic acid Formula: C22H24N2O3 MolecularWeight: 364.43756

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=C(C=C2C(=C1)C(=NCC(=O)N2)C3=CC=C(C=C3)C(=O)O)C(C)C

Isomeric SMILES

CC(C)C1=C(C=C2C(=C1)C(=NCC(=O)N2)C3=CC=C(C=C3)C(=O)O)C(C)C

InChI

InChI=1S/C22H24N2O3/c1-12(2)16-9-18-19(10-17(16)13(3)4)24-20(25)11-23-21(18)14-5-7-15(8-6-14)22(26)27/h5-10,12-13H,11H2,1-4H3,(H,24,25)(H,26,27)