6-chloranyl-N-(2-imidazol-1-ylethyl)-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxamide

Systemtic Name: 6-chloranyl-N-(2-imidazol-1-ylethyl)-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxamide Openeye Name: 6-chloro-N-(2-imidazol-1-ylethyl)-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxamide CAS Name: 6-chloro-N-[2-(1-imidazolyl)ethyl]-3,4-dihydro-2H-1,5-benzodioxepin-8-carboxamide IUPAC Name: 6-chloro-N-(2-imidazol-1-ylethyl)-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxamide Traditional Name: 6-chloro-N-(2-imidazol-1-ylethyl)-3,4-dihydro-2H-1,5-benzodioxepin-8-carboxamide Formula: C15H16ClN3O3 MolecularWeight: 321.75884

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C(=CC(=C2)C(=O)NCCN3C=CN=C3)Cl)OC1

Isomeric SMILES

C1COC2=C(C(=CC(=C2)C(=O)NCCN3C=CN=C3)Cl)OC1

InChI

InChI=1S/C15H16ClN3O3/c16-12-8-11(9-13-14(12)22-7-1-6-21-13)15(20)18-3-5-19-4-2-17-10-19/h2,4,8-10H,1,3,5-7H2,(H,18,20)