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

Systemtic Name: 7-(4-methylphenyl)-N-[4-[(1-oxidanidyl-3-oxidanyl-pyridin-1-ium-2-yl)methyl]phenyl]-2,3-dihydro-1-benzoxepine-4-carboxamide Openeye Name: N-[4-[(3-hydroxy-1-oxido-pyridin-1-ium-2-yl)methyl]phenyl]-7-(p-tolyl)-2,3-dihydro-1-benzoxepine-4-carboxamide CAS Name: N-[4-[(3-hydroxy-1-oxido-2-pyridin-1-iumyl)methyl]phenyl]-7-(4-methylphenyl)-2,3-dihydro-1-benzoxepin-4-carboxamide IUPAC Name: N-[4-[(3-hydroxy-1-oxidopyridin-1-ium-2-yl)methyl]phenyl]-7-(4-methylphenyl)-2,3-dihydro-1-benzoxepine-4-carboxamide Traditional Name: N-[4-[(3-hydroxy-1-oxido-pyridin-1-ium-2-yl)methyl]phenyl]-7-(p-tolyl)-2,3-dihydro-1-benzoxepin-4-carboxamide Formula: C30H26N2O4 MolecularWeight: 478.53844

Click to see the large picture

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)CC5=C(C=CC=[N+]5[O-])O

Isomeric SMILES

CC1=CC=C(C=C1)C2=CC3=C(C=C2)OCCC(=C3)C(=O)NC4=CC=C(C=C4)CC5=C(C=CC=[N+]5[O-])O

InChI

InChI=1S/C30H26N2O4/c1-20-4-8-22(9-5-20)23-10-13-29-25(18-23)19-24(14-16-36-29)30(34)31-26-11-6-21(7-12-26)17-27-28(33)3-2-15-32(27)35/h2-13,15,18-19,33H,14,16-17H2,1H3,(H,31,34)