4-cyano-4-(6-imidazol-1-ylpyridin-3-yl)-3-methyl-4-morpholin-4-yl-butanoate

Systemtic Name: 4-cyano-4-(6-imidazol-1-ylpyridin-3-yl)-3-methyl-4-morpholin-4-yl-butanoate Openeye Name: 4-cyano-4-(6-imidazol-1-yl-3-pyridyl)-3-methyl-4-morpholino-butanoate CAS Name: 4-cyano-4-[6-(1-imidazolyl)-3-pyridinyl]-3-methyl-4-(4-morpholinyl)butanoate IUPAC Name: 4-cyano-4-(6-imidazol-1-ylpyridin-3-yl)-3-methyl-4-morpholin-4-ylbutanoate Traditional Name: 4-cyano-4-(6-imidazol-1-yl-3-pyridyl)-3-methyl-4-morpholino-butyrate Formula: C18H20N5O3- MolecularWeight: 354.3831

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(=O)[O-])C(C#N)(C1=CN=C(C=C1)N2C=CN=C2)N3CCOCC3

Isomeric SMILES

CC(CC(=O)[O-])C(C#N)(C1=CN=C(C=C1)N2C=CN=C2)N3CCOCC3

InChI

InChI=1S/C18H21N5O3/c1-14(10-17(24)25)18(12-19,23-6-8-26-9-7-23)15-2-3-16(21-11-15)22-5-4-20-13-22/h2-5,11,13-14H,6-10H2,1H3,(H,24,25)/p-1