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

Systemtic Name: N-(2-methylpropyl)-N-(pyridin-3-ylmethyl)-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide Openeye Name: N-isobutyl-N-(3-pyridylmethyl)-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide CAS Name: N-(2-methylpropyl)-N-(3-pyridinylmethyl)-3,4-dihydro-2H-1,5-benzodioxepin-7-carboxamide IUPAC Name: N-(2-methylpropyl)-N-(pyridin-3-ylmethyl)-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide Traditional Name: N-isobutyl-N-(3-pyridylmethyl)-3,4-dihydro-2H-1,5-benzodioxepin-7-carboxamide Formula: C20H24N2O3 MolecularWeight: 340.41616

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN(CC1=CN=CC=C1)C(=O)C2=CC3=C(C=C2)OCCCO3

Isomeric SMILES

CC(C)CN(CC1=CN=CC=C1)C(=O)C2=CC3=C(C=C2)OCCCO3

InChI

InChI=1S/C20H24N2O3/c1-15(2)13-22(14-16-5-3-8-21-12-16)20(23)17-6-7-18-19(11-17)25-10-4-9-24-18/h3,5-8,11-12,15H,4,9-10,13-14H2,1-2H3