6-chloranyl-N-[[2-(imidazol-1-ylmethyl)phenyl]methyl]-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxamide

Systemtic Name: 6-chloranyl-N-[[2-(imidazol-1-ylmethyl)phenyl]methyl]-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxamide Openeye Name: 6-chloro-N-[[2-(imidazol-1-ylmethyl)phenyl]methyl]-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxamide CAS Name: 6-chloro-N-[[2-(1-imidazolylmethyl)phenyl]methyl]-3,4-dihydro-2H-1,5-benzodioxepin-8-carboxamide IUPAC Name: 6-chloro-N-[[2-(imidazol-1-ylmethyl)phenyl]methyl]-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxamide Traditional Name: 6-chloro-N-[2-(imidazol-1-ylmethyl)benzyl]-3,4-dihydro-2H-1,5-benzodioxepin-8-carboxamide Formula: C21H20ClN3O3 MolecularWeight: 397.8548

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C(=CC(=C2)C(=O)NCC3=CC=CC=C3CN4C=CN=C4)Cl)OC1

Isomeric SMILES

C1COC2=C(C(=CC(=C2)C(=O)NCC3=CC=CC=C3CN4C=CN=C4)Cl)OC1

InChI

InChI=1S/C21H20ClN3O3/c22-18-10-17(11-19-20(18)28-9-3-8-27-19)21(26)24-12-15-4-1-2-5-16(15)13-25-7-6-23-14-25/h1-2,4-7,10-11,14H,3,8-9,12-13H2,(H,24,26)