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

Systemtic Name: N-(phenylmethyl)-N-(pyridin-4-ylmethyl)-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide Openeye Name: N-benzyl-N-(4-pyridylmethyl)-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide CAS Name: N-(phenylmethyl)-N-(pyridin-4-ylmethyl)-3,4-dihydro-2H-1,5-benzodioxepin-7-carboxamide IUPAC Name: N-benzyl-N-(pyridin-4-ylmethyl)-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide Traditional Name: N-benzyl-N-(4-pyridylmethyl)-3,4-dihydro-2H-1,5-benzodioxepin-7-carboxamide Formula: C23H22N2O3 MolecularWeight: 374.43238

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)C(=O)N(CC3=CC=CC=C3)CC4=CC=NC=C4)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)C(=O)N(CC3=CC=CC=C3)CC4=CC=NC=C4)OC1

InChI

InChI=1S/C23H22N2O3/c26-23(20-7-8-21-22(15-20)28-14-4-13-27-21)25(16-18-5-2-1-3-6-18)17-19-9-11-24-12-10-19/h1-3,5-12,15H,4,13-14,16-17H2