4-[2-(6-methoxypyridin-3-yl)-1-phenyl-imidazol-4-yl]carbonyl-3-methyl-piperazine-1-carboxylic acid

Systemtic Name: 4-[2-(6-methoxypyridin-3-yl)-1-phenyl-imidazol-4-yl]carbonyl-3-methyl-piperazine-1-carboxylic acid Openeye Name: 4-[2-(6-methoxy-3-pyridyl)-1-phenyl-imidazole-4-carbonyl]-3-methyl-piperazine-1-carboxylic acid CAS Name: 4-[[2-(6-methoxy-3-pyridinyl)-1-phenyl-4-imidazolyl]-oxomethyl]-3-methyl-1-piperazinecarboxylic acid IUPAC Name: 4-[2-(6-methoxypyridin-3-yl)-1-phenylimidazole-4-carbonyl]-3-methylpiperazine-1-carboxylic acid Traditional Name: 4-[2-(6-methoxy-3-pyridyl)-1-phenyl-imidazole-4-carbonyl]-3-methyl-piperazine-1-carboxylic acid Formula: C22H23N5O4 MolecularWeight: 421.44912

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1C(=O)C2=CN(C(=N2)C3=CN=C(C=C3)OC)C4=CC=CC=C4)C(=O)O

Isomeric SMILES

CC1CN(CCN1C(=O)C2=CN(C(=N2)C3=CN=C(C=C3)OC)C4=CC=CC=C4)C(=O)O

InChI

InChI=1S/C22H23N5O4/c1-15-13-25(22(29)30)10-11-26(15)21(28)18-14-27(17-6-4-3-5-7-17)20(24-18)16-8-9-19(31-2)23-12-16/h3-9,12,14-15H,10-11,13H2,1-2H3,(H,29,30)