1-[5-(4-imidazol-1-ylphenyl)-3,4,5,6-tetrahydro-2H-1,7,4-benzodioxazonin-6-yl]ethanone

Systemtic Name: 1-[5-(4-imidazol-1-ylphenyl)-3,4,5,6-tetrahydro-2H-1,7,4-benzodioxazonin-6-yl]ethanone Openeye Name: 1-[5-(4-imidazol-1-ylphenyl)-3,4,5,6-tetrahydro-2H-1,7,4-benzodioxazonin-6-yl]ethanone CAS Name: 1-[5-[4-(1-imidazolyl)phenyl]-3,4,5,6-tetrahydro-2H-1,7,4-benzodioxazonin-6-yl]ethanone IUPAC Name: 1-[5-(4-imidazol-1-ylphenyl)-3,4,5,6-tetrahydro-2H-1,7,4-benzodioxazonin-6-yl]ethanone Traditional Name: 1-[5-(4-imidazol-1-ylphenyl)-3,4,5,6-tetrahydro-2H-1,7,4-benzodioxazonin-6-yl]ethanone Formula: C21H21N3O3 MolecularWeight: 363.40974

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1C(NCCOC2=CC=CC=C2O1)C3=CC=C(C=C3)N4C=CN=C4

Isomeric SMILES

CC(=O)C1C(NCCOC2=CC=CC=C2O1)C3=CC=C(C=C3)N4C=CN=C4

InChI

InChI=1S/C21H21N3O3/c1-15(25)21-20(16-6-8-17(9-7-16)24-12-10-22-14-24)23-11-13-26-18-4-2-3-5-19(18)27-21/h2-10,12,14,20-21,23H,11,13H2,1H3