1-imidazol-1-yl-3-(3-methyl-1,5-dihydro-2,4-benzodioxepin-3-yl)propan-1-one

Systemtic Name: 1-imidazol-1-yl-3-(3-methyl-1,5-dihydro-2,4-benzodioxepin-3-yl)propan-1-one Openeye Name: 1-imidazol-1-yl-3-(3-methyl-1,5-dihydro-2,4-benzodioxepin-3-yl)propan-1-one CAS Name: 1-(1-imidazolyl)-3-(3-methyl-1,5-dihydro-2,4-benzodioxepin-3-yl)-1-propanone IUPAC Name: 1-imidazol-1-yl-3-(3-methyl-1,5-dihydro-2,4-benzodioxepin-3-yl)propan-1-one Traditional Name: 1-imidazol-1-yl-3-(3-methyl-1,5-dihydro-2,4-benzodioxepin-3-yl)propan-1-one Formula: C16H18N2O3 MolecularWeight: 286.32572

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Descriptors Computed from Structure

Canonical SMILES:

CC1(OCC2=CC=CC=C2CO1)CCC(=O)N3C=CN=C3

Isomeric SMILES

CC1(OCC2=CC=CC=C2CO1)CCC(=O)N3C=CN=C3

InChI

InChI=1S/C16H18N2O3/c1-16(7-6-15(19)18-9-8-17-12-18)20-10-13-4-2-3-5-14(13)11-21-16/h2-5,8-9,12H,6-7,10-11H2,1H3