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

Systemtic Name: N-butyl-N-(pyridin-4-ylmethyl)-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide Openeye Name: N-butyl-N-(4-pyridylmethyl)-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide CAS Name: N-butyl-N-(pyridin-4-ylmethyl)-3,4-dihydro-2H-1,5-benzodioxepin-7-carboxamide IUPAC Name: N-butyl-N-(pyridin-4-ylmethyl)-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide Traditional Name: N-butyl-N-(4-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=CC=NC=C1)C(=O)C2=CC3=C(C=C2)OCCCO3

Isomeric SMILES

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

InChI

InChI=1S/C20H24N2O3/c1-2-3-11-22(15-16-7-9-21-10-8-16)20(23)17-5-6-18-19(14-17)25-13-4-12-24-18/h5-10,14H,2-4,11-13,15H2,1H3