[6-[4-(4-butoxyphenyl)phenyl]pyridin-3-yl]-(3-oxidanidylbenzotriazol-3-ium-1-yl)methanone

Systemtic Name: [6-[4-(4-butoxyphenyl)phenyl]pyridin-3-yl]-(3-oxidanidylbenzotriazol-3-ium-1-yl)methanone Openeye Name: [6-[4-(4-butoxyphenyl)phenyl]-3-pyridyl]-(3-oxidobenzotriazol-3-ium-1-yl)methanone CAS Name: [6-[4-(4-butoxyphenyl)phenyl]-3-pyridinyl]-(3-oxido-1-benzotriazol-3-iumyl)methanone IUPAC Name: [6-[4-(4-butoxyphenyl)phenyl]pyridin-3-yl]-(3-oxidobenzotriazol-3-ium-1-yl)methanone Traditional Name: [6-[4-(4-butoxyphenyl)phenyl]-3-pyridyl]-(3-oxidobenzotriazol-3-ium-1-yl)methanone Formula: C28H24N4O3 MolecularWeight: 464.51516

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C2=CC=C(C=C2)C3=NC=C(C=C3)C(=O)N4C5=CC=CC=C5[N+](=N4)[O-]

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C2=CC=C(C=C2)C3=NC=C(C=C3)C(=O)N4C5=CC=CC=C5[N+](=N4)[O-]

InChI

InChI=1S/C28H24N4O3/c1-2-3-18-35-24-15-12-21(13-16-24)20-8-10-22(11-9-20)25-17-14-23(19-29-25)28(33)31-26-6-4-5-7-27(26)32(34)30-31/h4-17,19H,2-3,18H2,1H3