6-[(3-methoxyphenyl)methoxy]-4-(1-oxidanidylpyridin-1-ium-3-yl)carbonyl-1-phenethyl-1,4-diazepan-2-one

Systemtic Name: 6-[(3-methoxyphenyl)methoxy]-4-(1-oxidanidylpyridin-1-ium-3-yl)carbonyl-1-phenethyl-1,4-diazepan-2-one Openeye Name: 6-[(3-methoxyphenyl)methoxy]-4-(1-oxidopyridin-1-ium-3-carbonyl)-1-phenethyl-1,4-diazepan-2-one CAS Name: 6-[(3-methoxyphenyl)methoxy]-4-[(1-oxido-3-pyridin-1-iumyl)-oxomethyl]-1-phenethyl-1,4-diazepan-2-one IUPAC Name: 6-[(3-methoxyphenyl)methoxy]-4-(1-oxidopyridin-1-ium-3-carbonyl)-1-phenethyl-1,4-diazepan-2-one Traditional Name: 6-m-anisyloxy-4-(1-oxidopyridin-1-ium-3-carbonyl)-1-phenethyl-1,4-diazepan-2-one Formula: C27H29N3O5 MolecularWeight: 475.53626

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)COC2CN(CC(=O)N(C2)CCC3=CC=CC=C3)C(=O)C4=C[N+](=CC=C4)[O-]

Isomeric SMILES

COC1=CC=CC(=C1)COC2CN(CC(=O)N(C2)CCC3=CC=CC=C3)C(=O)C4=C[N+](=CC=C4)[O-]

InChI

InChI=1S/C27H29N3O5/c1-34-24-11-5-9-22(15-24)20-35-25-17-28(14-12-21-7-3-2-4-8-21)26(31)19-29(18-25)27(32)23-10-6-13-30(33)16-23/h2-11,13,15-16,25H,12,14,17-20H2,1H3