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

Systemtic Name: 4-[1,3-dimethyl-2-oxidanylidene-7,8-di(propan-2-yl)-3H-1,4-benzodiazepin-5-yl]benzoic acid Openeye Name: 4-(7,8-diisopropyl-1,3-dimethyl-2-oxo-3H-1,4-benzodiazepin-5-yl)benzoic acid CAS Name: 4-[1,3-dimethyl-2-oxo-7,8-di(propan-2-yl)-3H-1,4-benzodiazepin-5-yl]benzoic acid IUPAC Name: 4-[1,3-dimethyl-2-oxo-7,8-di(propan-2-yl)-3H-1,4-benzodiazepin-5-yl]benzoic acid Traditional Name: 4-(7,8-diisopropyl-2-keto-1,3-dimethyl-3H-1,4-benzodiazepin-5-yl)benzoic acid Formula: C24H28N2O3 MolecularWeight: 392.49072

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(=O)N(C2=CC(=C(C=C2C(=N1)C3=CC=C(C=C3)C(=O)O)C(C)C)C(C)C)C

Isomeric SMILES

CC1C(=O)N(C2=CC(=C(C=C2C(=N1)C3=CC=C(C=C3)C(=O)O)C(C)C)C(C)C)C

InChI

InChI=1S/C24H28N2O3/c1-13(2)18-11-20-21(12-19(18)14(3)4)26(6)23(27)15(5)25-22(20)16-7-9-17(10-8-16)24(28)29/h7-15H,1-6H3,(H,28,29)