N-[4-[(3-methoxy-1-oxidanidyl-pyridin-1-ium-2-yl)-oxidanyl-methyl]phenyl]-7-(4-methylphenyl)-2,3-dihydro-1-benzoxepine-4-carboxamide

Systemtic Name: N-[4-[(3-methoxy-1-oxidanidyl-pyridin-1-ium-2-yl)-oxidanyl-methyl]phenyl]-7-(4-methylphenyl)-2,3-dihydro-1-benzoxepine-4-carboxamide Openeye Name: N-[4-[hydroxy-(3-methoxy-1-oxido-pyridin-1-ium-2-yl)methyl]phenyl]-7-(p-tolyl)-2,3-dihydro-1-benzoxepine-4-carboxamide CAS Name: N-[4-[hydroxy-(3-methoxy-1-oxido-2-pyridin-1-iumyl)methyl]phenyl]-7-(4-methylphenyl)-2,3-dihydro-1-benzoxepin-4-carboxamide IUPAC Name: N-[4-[hydroxy-(3-methoxy-1-oxidopyridin-1-ium-2-yl)methyl]phenyl]-7-(4-methylphenyl)-2,3-dihydro-1-benzoxepine-4-carboxamide Traditional Name: N-[4-[hydroxy-(3-methoxy-1-oxido-pyridin-1-ium-2-yl)methyl]phenyl]-7-(p-tolyl)-2,3-dihydro-1-benzoxepin-4-carboxamide Formula: C31H28N2O5 MolecularWeight: 508.56442

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=CC3=C(C=C2)OCCC(=C3)C(=O)NC4=CC=C(C=C4)C(C5=C(C=CC=[N+]5[O-])OC)O

Isomeric SMILES

CC1=CC=C(C=C1)C2=CC3=C(C=C2)OCCC(=C3)C(=O)NC4=CC=C(C=C4)C(C5=C(C=CC=[N+]5[O-])OC)O

InChI

InChI=1S/C31H28N2O5/c1-20-5-7-21(8-6-20)23-11-14-27-25(18-23)19-24(15-17-38-27)31(35)32-26-12-9-22(10-13-26)30(34)29-28(37-2)4-3-16-33(29)36/h3-14,16,18-19,30,34H,15,17H2,1-2H3,(H,32,35)