4-[2-(8-oxidanyl-7,8-dihydro-4H-imidazo[4,5-d][1,3]diazepin-3-yl)ethyl]-8-(trifluoromethyl)naphthalene-2-carboxylic acid

Systemtic Name: 4-[2-(8-oxidanyl-7,8-dihydro-4H-imidazo[4,5-d][1,3]diazepin-3-yl)ethyl]-8-(trifluoromethyl)naphthalene-2-carboxylic acid Openeye Name: 4-[2-(8-hydroxy-7,8-dihydro-4H-imidazo[4,5-d][1,3]diazepin-3-yl)ethyl]-8-(trifluoromethyl)naphthalene-2-carboxylic acid CAS Name: 4-[2-(8-hydroxy-7,8-dihydro-4H-imidazo[4,5-d][1,3]diazepin-3-yl)ethyl]-8-(trifluoromethyl)-2-naphthalenecarboxylic acid IUPAC Name: 4-[2-(8-hydroxy-7,8-dihydro-4H-imidazo[4,5-d][1,3]diazepin-3-yl)ethyl]-8-(trifluoromethyl)naphthalene-2-carboxylic acid Traditional Name: 4-[2-(8-hydroxy-7,8-dihydro-4H-imidazo[4,5-d][1,3]diazepin-3-yl)ethyl]-8-(trifluoromethyl)-2-naphthoic acid Formula: C20H17F3N4O3 MolecularWeight: 418.36919

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C2=C(NC=N1)N(C=N2)CCC3=C4C=CC=C(C4=CC(=C3)C(=O)O)C(F)(F)F)O

Isomeric SMILES

C1C(C2=C(NC=N1)N(C=N2)CCC3=C4C=CC=C(C4=CC(=C3)C(=O)O)C(F)(F)F)O

InChI

InChI=1S/C20H17F3N4O3/c21-20(22,23)15-3-1-2-13-11(6-12(19(29)30)7-14(13)15)4-5-27-10-26-17-16(28)8-24-9-25-18(17)27/h1-3,6-7,9-10,16,28H,4-5,8H2,(H,24,25)(H,29,30)