4-(5-methylimidazo[4,5-d]azepin-2-yl)benzoic acid

Systemtic Name: 4-(5-methylimidazo[4,5-d]azepin-2-yl)benzoic acid Openeye Name: 4-(5-methylimidazo[4,5-d]azepin-2-yl)benzoic acid CAS Name: 4-(5-methyl-2-imidazo[4,5-d]azepinyl)benzoic acid IUPAC Name: 4-(5-methylimidazo[4,5-d]azepin-2-yl)benzoic acid Traditional Name: 4-(5-methylimidaz[4,5-d]azepin-2-yl)benzoic acid Formula: C15H11N3O2 MolecularWeight: 265.26674

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=CC2=NC(=NC2=C1)C3=CC=C(C=C3)C(=O)O

Isomeric SMILES

CC1=NC=CC2=NC(=NC2=C1)C3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C15H11N3O2/c1-9-8-13-12(6-7-16-9)17-14(18-13)10-2-4-11(5-3-10)15(19)20/h2-8H,1H3,(H,19,20)