5-chloranyl-N-[[2-(imidazol-1-ylmethyl)phenyl]methyl]-2,3-dihydro-1,4-benzodioxine-7-carboxamide

Systemtic Name: 5-chloranyl-N-[[2-(imidazol-1-ylmethyl)phenyl]methyl]-2,3-dihydro-1,4-benzodioxine-7-carboxamide Openeye Name: 5-chloro-N-[[2-(imidazol-1-ylmethyl)phenyl]methyl]-2,3-dihydro-1,4-benzodioxine-7-carboxamide CAS Name: 5-chloro-N-[[2-(1-imidazolylmethyl)phenyl]methyl]-2,3-dihydro-1,4-benzodioxin-7-carboxamide IUPAC Name: 5-chloro-N-[[2-(imidazol-1-ylmethyl)phenyl]methyl]-2,3-dihydro-1,4-benzodioxine-7-carboxamide Traditional Name: 5-chloro-N-[2-(imidazol-1-ylmethyl)benzyl]-2,3-dihydro-1,4-benzodioxin-7-carboxamide Formula: C20H18ClN3O3 MolecularWeight: 383.82822

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=C(C=C2Cl)C(=O)NCC3=CC=CC=C3CN4C=CN=C4

Isomeric SMILES

C1COC2=C(O1)C=C(C=C2Cl)C(=O)NCC3=CC=CC=C3CN4C=CN=C4

InChI

InChI=1S/C20H18ClN3O3/c21-17-9-16(10-18-19(17)27-8-7-26-18)20(25)23-11-14-3-1-2-4-15(14)12-24-6-5-22-13-24/h1-6,9-10,13H,7-8,11-12H2,(H,23,25)