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

Systemtic Name: 7-(4-methylphenyl)-N-[4-[(1-oxidanidylpyridin-1-ium-2-yl)methyl]phenyl]-2,3-dihydro-1-benzoxepine-4-carboxamide Openeye Name: N-[4-[(1-oxidopyridin-1-ium-2-yl)methyl]phenyl]-7-(p-tolyl)-2,3-dihydro-1-benzoxepine-4-carboxamide CAS Name: 7-(4-methylphenyl)-N-[4-[(1-oxido-2-pyridin-1-iumyl)methyl]phenyl]-2,3-dihydro-1-benzoxepin-4-carboxamide IUPAC Name: 7-(4-methylphenyl)-N-[4-[(1-oxidopyridin-1-ium-2-yl)methyl]phenyl]-2,3-dihydro-1-benzoxepine-4-carboxamide Traditional Name: N-[4-[(1-oxidopyridin-1-ium-2-yl)methyl]phenyl]-7-(p-tolyl)-2,3-dihydro-1-benzoxepin-4-carboxamide Formula: C30H26N2O3 MolecularWeight: 462.53904

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

Isomeric SMILES

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

InChI

InChI=1S/C30H26N2O3/c1-21-5-9-23(10-6-21)24-11-14-29-26(19-24)20-25(15-17-35-29)30(33)31-27-12-7-22(8-13-27)18-28-4-2-3-16-32(28)34/h2-14,16,19-20H,15,17-18H2,1H3,(H,31,33)