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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C(=O)NC2=CC(=C(C=C2C(=N1)C3=CC=C(C=C3)C(=O)O)C(C)C)C(C)C

Isomeric SMILES

CCC1C(=O)NC2=CC(=C(C=C2C(=N1)C3=CC=C(C=C3)C(=O)O)C(C)C)C(C)C

InChI

InChI=1S/C24H28N2O3/c1-6-20-23(27)26-21-12-18(14(4)5)17(13(2)3)11-19(21)22(25-20)15-7-9-16(10-8-15)24(28)29/h7-14,20H,6H2,1-5H3,(H,26,27)(H,28,29)