N-phenethyl-N-(pyridin-4-ylmethyl)-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide

Systemtic Name: N-phenethyl-N-(pyridin-4-ylmethyl)-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide Openeye Name: N-phenethyl-N-(4-pyridylmethyl)-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide CAS Name: N-phenethyl-N-(pyridin-4-ylmethyl)-3,4-dihydro-2H-1,5-benzodioxepin-7-carboxamide IUPAC Name: N-phenethyl-N-(pyridin-4-ylmethyl)-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide Traditional Name: N-phenethyl-N-(4-pyridylmethyl)-3,4-dihydro-2H-1,5-benzodioxepin-7-carboxamide Formula: C24H24N2O3 MolecularWeight: 388.45896

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)C(=O)N(CCC3=CC=CC=C3)CC4=CC=NC=C4)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)C(=O)N(CCC3=CC=CC=C3)CC4=CC=NC=C4)OC1

InChI

InChI=1S/C24H24N2O3/c27-24(21-7-8-22-23(17-21)29-16-4-15-28-22)26(18-20-9-12-25-13-10-20)14-11-19-5-2-1-3-6-19/h1-3,5-10,12-13,17H,4,11,14-16,18H2