N-[1-(4-imidazol-1-ylphenyl)ethyl]-3-methyl-1-oxidanylidene-4H-isochromene-3-carboxamide

Systemtic Name: N-[1-(4-imidazol-1-ylphenyl)ethyl]-3-methyl-1-oxidanylidene-4H-isochromene-3-carboxamide Openeye Name: N-[1-(4-imidazol-1-ylphenyl)ethyl]-3-methyl-1-oxo-isochromane-3-carboxamide CAS Name: N-[1-[4-(1-imidazolyl)phenyl]ethyl]-3-methyl-1-oxo-3,4-dihydro-1H-2-benzopyran-3-carboxamide IUPAC Name: N-[1-(4-imidazol-1-ylphenyl)ethyl]-3-methyl-1-oxo-4H-isochromene-3-carboxamide Traditional Name: N-[1-(4-imidazol-1-ylphenyl)ethyl]-1-keto-3-methyl-isochroman-3-carboxamide Formula: C22H21N3O3 MolecularWeight: 375.42044

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=C(C=C1)N2C=CN=C2)NC(=O)C3(CC4=CC=CC=C4C(=O)O3)C

Isomeric SMILES

CC(C1=CC=C(C=C1)N2C=CN=C2)NC(=O)C3(CC4=CC=CC=C4C(=O)O3)C

InChI

InChI=1S/C22H21N3O3/c1-15(16-7-9-18(10-8-16)25-12-11-23-14-25)24-21(27)22(2)13-17-5-3-4-6-19(17)20(26)28-22/h3-12,14-15H,13H2,1-2H3,(H,24,27)