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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H24N2O3/c1-2-3-10-22(15-16-6-4-9-21-14-16)20(23)17-7-8-18-19(13-17)25-12-5-11-24-18/h4,6-9,13-14H,2-3,5,10-12,15H2,1H3