N-[(2S)-1-(benzotriazol-1-yl)propan-2-yl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide

Systemtic Name: N-[(2S)-1-(benzotriazol-1-yl)propan-2-yl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide Openeye Name: N-[(1S)-2-(benzotriazol-1-yl)-1-methyl-ethyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide CAS Name: N-[(2S)-1-(1-benzotriazolyl)propan-2-yl]-2,3-dihydro-1,4-benzodioxin-6-carboxamide IUPAC Name: N-[(2S)-1-(benzotriazol-1-yl)propan-2-yl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide Traditional Name: N-[(1S)-2-(benzotriazol-1-yl)-1-methyl-ethyl]-2,3-dihydro-1,4-benzodioxin-6-carboxamide Formula: C18H18N4O3 MolecularWeight: 338.36052

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Descriptors Computed from Structure

Canonical SMILES:

CC(CN1C2=CC=CC=C2N=N1)NC(=O)C3=CC4=C(C=C3)OCCO4

Isomeric SMILES

C[C@@H](CN1C2=CC=CC=C2N=N1)NC(=O)C3=CC4=C(C=C3)OCCO4

InChI

InChI=1S/C18H18N4O3/c1-12(11-22-15-5-3-2-4-14(15)20-21-22)19-18(23)13-6-7-16-17(10-13)25-9-8-24-16/h2-7,10,12H,8-9,11H2,1H3,(H,19,23)/t12-/m0/s1