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

Systemtic Name: 5-chloranyl-N-[3-(imidazol-1-ylmethyl)phenyl]-2,3-dihydro-1,4-benzodioxine-7-carboxamide Openeye Name: 5-chloro-N-[3-(imidazol-1-ylmethyl)phenyl]-2,3-dihydro-1,4-benzodioxine-7-carboxamide CAS Name: 5-chloro-N-[3-(1-imidazolylmethyl)phenyl]-2,3-dihydro-1,4-benzodioxin-7-carboxamide IUPAC Name: 5-chloro-N-[3-(imidazol-1-ylmethyl)phenyl]-2,3-dihydro-1,4-benzodioxine-7-carboxamide Traditional Name: 5-chloro-N-[3-(imidazol-1-ylmethyl)phenyl]-2,3-dihydro-1,4-benzodioxin-7-carboxamide Formula: C19H16ClN3O3 MolecularWeight: 369.80164

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=C(C=C2Cl)C(=O)NC3=CC=CC(=C3)CN4C=CN=C4

Isomeric SMILES

C1COC2=C(O1)C=C(C=C2Cl)C(=O)NC3=CC=CC(=C3)CN4C=CN=C4

InChI

InChI=1S/C19H16ClN3O3/c20-16-9-14(10-17-18(16)26-7-6-25-17)19(24)22-15-3-1-2-13(8-15)11-23-5-4-21-12-23/h1-5,8-10,12H,6-7,11H2,(H,22,24)