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

Systemtic Name: N-(3-phenylpropyl)-N-(pyridin-3-ylmethyl)-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide Openeye Name: N-(3-phenylpropyl)-N-(3-pyridylmethyl)-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide CAS Name: N-(3-phenylpropyl)-N-(3-pyridinylmethyl)-3,4-dihydro-2H-1,5-benzodioxepin-7-carboxamide IUPAC Name: N-(3-phenylpropyl)-N-(pyridin-3-ylmethyl)-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide Traditional Name: N-(3-phenylpropyl)-N-(3-pyridylmethyl)-3,4-dihydro-2H-1,5-benzodioxepin-7-carboxamide Formula: C25H26N2O3 MolecularWeight: 402.48554

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)C(=O)N(CCCC3=CC=CC=C3)CC4=CN=CC=C4)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)C(=O)N(CCCC3=CC=CC=C3)CC4=CN=CC=C4)OC1

InChI

InChI=1S/C25H26N2O3/c28-25(22-11-12-23-24(17-22)30-16-6-15-29-23)27(19-21-9-4-13-26-18-21)14-5-10-20-7-2-1-3-8-20/h1-4,7-9,11-13,17-18H,5-6,10,14-16,19H2