4-(2-oxidanylidene-7,8-dipropyl-1,3-dihydro-1,4-benzodiazepin-5-yl)benzoic acid

Systemtic Name: 4-(2-oxidanylidene-7,8-dipropyl-1,3-dihydro-1,4-benzodiazepin-5-yl)benzoic acid Openeye Name: 4-(2-oxo-7,8-dipropyl-1,3-dihydro-1,4-benzodiazepin-5-yl)benzoic acid CAS Name: 4-(2-oxo-7,8-dipropyl-1,3-dihydro-1,4-benzodiazepin-5-yl)benzoic acid IUPAC Name: 4-(2-oxo-7,8-dipropyl-1,3-dihydro-1,4-benzodiazepin-5-yl)benzoic acid Traditional Name: 4-(2-keto-7,8-dipropyl-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:

CCCC1=C(C=C2C(=C1)C(=NCC(=O)N2)C3=CC=C(C=C3)C(=O)O)CCC

Isomeric SMILES

CCCC1=C(C=C2C(=C1)C(=NCC(=O)N2)C3=CC=C(C=C3)C(=O)O)CCC

InChI

InChI=1S/C22H24N2O3/c1-3-5-16-11-18-19(12-17(16)6-4-2)24-20(25)13-23-21(18)14-7-9-15(10-8-14)22(26)27/h7-12H,3-6,13H2,1-2H3,(H,24,25)(H,26,27)