N-[(4-but-2-ynoxyphenyl)methyl]-N-(pyridin-3-ylmethyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide

Systemtic Name: N-[(4-but-2-ynoxyphenyl)methyl]-N-(pyridin-3-ylmethyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide Openeye Name: N-[(4-but-2-ynoxyphenyl)methyl]-N-(3-pyridylmethyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide CAS Name: N-[(4-but-2-ynoxyphenyl)methyl]-N-(3-pyridinylmethyl)-2,3-dihydro-1,4-benzodioxin-3-carboxamide IUPAC Name: N-[(4-but-2-ynoxyphenyl)methyl]-N-(pyridin-3-ylmethyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide Traditional Name: N-(4-but-2-ynoxybenzyl)-N-(3-pyridylmethyl)-2,3-dihydro-1,4-benzodioxin-3-carboxamide Formula: C26H24N2O4 MolecularWeight: 428.47976

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Descriptors Computed from Structure

Canonical SMILES:

CC#CCOC1=CC=C(C=C1)CN(CC2=CN=CC=C2)C(=O)C3COC4=CC=CC=C4O3

Isomeric SMILES

CC#CCOC1=CC=C(C=C1)CN(CC2=CN=CC=C2)C(=O)C3COC4=CC=CC=C4O3

InChI

InChI=1S/C26H24N2O4/c1-2-3-15-30-22-12-10-20(11-13-22)17-28(18-21-7-6-14-27-16-21)26(29)25-19-31-23-8-4-5-9-24(23)32-25/h4-14,16,25H,15,17-19H2,1H3