2-(6-chloranyl-4-methyl-7-oxidanyl-2-oxidanylidene-chromen-3-yl)-N-(3-imidazol-1-ylpropyl)ethanamide

Systemtic Name: 2-(6-chloranyl-4-methyl-7-oxidanyl-2-oxidanylidene-chromen-3-yl)-N-(3-imidazol-1-ylpropyl)ethanamide Openeye Name: 2-(6-chloro-7-hydroxy-4-methyl-2-oxo-chromen-3-yl)-N-(3-imidazol-1-ylpropyl)acetamide CAS Name: 2-(6-chloro-7-hydroxy-4-methyl-2-oxo-1-benzopyran-3-yl)-N-[3-(1-imidazolyl)propyl]acetamide IUPAC Name: 2-(6-chloro-7-hydroxy-4-methyl-2-oxochromen-3-yl)-N-(3-imidazol-1-ylpropyl)acetamide Traditional Name: 2-(6-chloro-7-hydroxy-2-keto-4-methyl-chromen-3-yl)-N-(3-imidazol-1-ylpropyl)acetamide Formula: C18H18ClN3O4 MolecularWeight: 375.80622

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)OC2=CC(=C(C=C12)Cl)O)CC(=O)NCCCN3C=CN=C3

Isomeric SMILES

CC1=C(C(=O)OC2=CC(=C(C=C12)Cl)O)CC(=O)NCCCN3C=CN=C3

InChI

InChI=1S/C18H18ClN3O4/c1-11-12-7-14(19)15(23)9-16(12)26-18(25)13(11)8-17(24)21-3-2-5-22-6-4-20-10-22/h4,6-7,9-10,23H,2-3,5,8H2,1H3,(H,21,24)