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

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

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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=CC=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)C(C5=CC=CC=[N+]5[O-])O

InChI

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