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

Systemtic Name: N-(1H-imidazol-2-ylmethyl)-N-[(4-phenylphenyl)methyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide Openeye Name: N-(1H-imidazol-2-ylmethyl)-N-[(4-phenylphenyl)methyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide CAS Name: N-(1H-imidazol-2-ylmethyl)-N-[(4-phenylphenyl)methyl]-3,4-dihydro-2H-1,5-benzodioxepin-7-carboxamide IUPAC Name: N-(1H-imidazol-2-ylmethyl)-N-[(4-phenylphenyl)methyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide Traditional Name: N-(1H-imidazol-2-ylmethyl)-N-(4-phenylbenzyl)-3,4-dihydro-2H-1,5-benzodioxepin-7-carboxamide Formula: C27H25N3O3 MolecularWeight: 439.5057

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)C(=O)N(CC3=CC=C(C=C3)C4=CC=CC=C4)CC5=NC=CN5)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)C(=O)N(CC3=CC=C(C=C3)C4=CC=CC=C4)CC5=NC=CN5)OC1

InChI

InChI=1S/C27H25N3O3/c31-27(23-11-12-24-25(17-23)33-16-4-15-32-24)30(19-26-28-13-14-29-26)18-20-7-9-22(10-8-20)21-5-2-1-3-6-21/h1-3,5-14,17H,4,15-16,18-19H2,(H,28,29)