6-chloranyl-N-[(2-phenylmethoxypyridin-4-yl)methyl]-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxamide

Systemtic Name: 6-chloranyl-N-[(2-phenylmethoxypyridin-4-yl)methyl]-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxamide Openeye Name: N-[(2-benzyloxy-4-pyridyl)methyl]-6-chloro-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxamide CAS Name: 6-chloro-N-[(2-phenylmethoxy-4-pyridinyl)methyl]-3,4-dihydro-2H-1,5-benzodioxepin-8-carboxamide IUPAC Name: 6-chloro-N-[(2-phenylmethoxypyridin-4-yl)methyl]-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxamide Traditional Name: N-[(2-benzoxy-4-pyridyl)methyl]-6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-carboxamide Formula: C23H21ClN2O4 MolecularWeight: 424.87684

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C(=CC(=C2)C(=O)NCC3=CC(=NC=C3)OCC4=CC=CC=C4)Cl)OC1

Isomeric SMILES

C1COC2=C(C(=CC(=C2)C(=O)NCC3=CC(=NC=C3)OCC4=CC=CC=C4)Cl)OC1

InChI

InChI=1S/C23H21ClN2O4/c24-19-12-18(13-20-22(19)29-10-4-9-28-20)23(27)26-14-17-7-8-25-21(11-17)30-15-16-5-2-1-3-6-16/h1-3,5-8,11-13H,4,9-10,14-15H2,(H,26,27)