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

Systemtic Name: N-[[2-(imidazol-1-ylmethyl)phenyl]methyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide Openeye Name: N-[[2-(imidazol-1-ylmethyl)phenyl]methyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide CAS Name: N-[[2-(1-imidazolylmethyl)phenyl]methyl]-3,4-dihydro-2H-1,5-benzodioxepin-7-carboxamide IUPAC Name: N-[[2-(imidazol-1-ylmethyl)phenyl]methyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide Traditional Name: N-[2-(imidazol-1-ylmethyl)benzyl]-3,4-dihydro-2H-1,5-benzodioxepin-7-carboxamide Formula: C21H21N3O3 MolecularWeight: 363.40974

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21N3O3/c25-21(16-6-7-19-20(12-16)27-11-3-10-26-19)23-13-17-4-1-2-5-18(17)14-24-9-8-22-15-24/h1-2,4-9,12,15H,3,10-11,13-14H2,(H,23,25)