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

Systemtic Name: 7-(4-methylphenyl)-N-[4-(1-oxidanidylpyridin-1-ium-3-yl)phenyl]-2,3-dihydro-1-benzoxepine-4-carboxamide Openeye Name: N-[4-(1-oxidopyridin-1-ium-3-yl)phenyl]-7-(p-tolyl)-2,3-dihydro-1-benzoxepine-4-carboxamide CAS Name: 7-(4-methylphenyl)-N-[4-(1-oxido-3-pyridin-1-iumyl)phenyl]-2,3-dihydro-1-benzoxepin-4-carboxamide IUPAC Name: 7-(4-methylphenyl)-N-[4-(1-oxidopyridin-1-ium-3-yl)phenyl]-2,3-dihydro-1-benzoxepine-4-carboxamide Traditional Name: N-[4-(1-oxidopyridin-1-ium-3-yl)phenyl]-7-(p-tolyl)-2,3-dihydro-1-benzoxepin-4-carboxamide Formula: C29H24N2O3 MolecularWeight: 448.51246

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

Isomeric SMILES

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

InChI

InChI=1S/C29H24N2O3/c1-20-4-6-21(7-5-20)23-10-13-28-26(17-23)18-24(14-16-34-28)29(32)30-27-11-8-22(9-12-27)25-3-2-15-31(33)19-25/h2-13,15,17-19H,14,16H2,1H3,(H,30,32)