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

Systemtic Name: N-phenyl-N-(pyridin-3-ylmethyl)-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide Openeye Name: N-phenyl-N-(3-pyridylmethyl)-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide CAS Name: N-phenyl-N-(3-pyridinylmethyl)-3,4-dihydro-2H-1,5-benzodioxepin-7-carboxamide IUPAC Name: N-phenyl-N-(pyridin-3-ylmethyl)-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide Traditional Name: N-phenyl-N-(3-pyridylmethyl)-3,4-dihydro-2H-1,5-benzodioxepin-7-carboxamide Formula: C22H20N2O3 MolecularWeight: 360.4058

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)C(=O)N(CC3=CN=CC=C3)C4=CC=CC=C4)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)C(=O)N(CC3=CN=CC=C3)C4=CC=CC=C4)OC1

InChI

InChI=1S/C22H20N2O3/c25-22(18-9-10-20-21(14-18)27-13-5-12-26-20)24(19-7-2-1-3-8-19)16-17-6-4-11-23-15-17/h1-4,6-11,14-15H,5,12-13,16H2