(3-oxidanidylbenzotriazol-3-ium-1-yl)-[4-[3-(4-pentoxyphenyl)-1H-pyrazol-5-yl]phenyl]methanone

Systemtic Name: (3-oxidanidylbenzotriazol-3-ium-1-yl)-[4-[3-(4-pentoxyphenyl)-1H-pyrazol-5-yl]phenyl]methanone Openeye Name: (3-oxidobenzotriazol-3-ium-1-yl)-[4-[3-(4-pentoxyphenyl)-1H-pyrazol-5-yl]phenyl]methanone CAS Name: (3-oxido-1-benzotriazol-3-iumyl)-[4-[3-(4-pentoxyphenyl)-1H-pyrazol-5-yl]phenyl]methanone IUPAC Name: (3-oxidobenzotriazol-3-ium-1-yl)-[4-[3-(4-pentoxyphenyl)-1H-pyrazol-5-yl]phenyl]methanone Traditional Name: [4-[3-(4-amoxyphenyl)-1H-pyrazol-5-yl]phenyl]-(3-oxidobenzotriazol-3-ium-1-yl)methanone Formula: C27H25N5O3 MolecularWeight: 467.5191

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=CC=C(C=C1)C2=NNC(=C2)C3=CC=C(C=C3)C(=O)N4C5=CC=CC=C5[N+](=N4)[O-]

Isomeric SMILES

CCCCCOC1=CC=C(C=C1)C2=NNC(=C2)C3=CC=C(C=C3)C(=O)N4C5=CC=CC=C5[N+](=N4)[O-]

InChI

InChI=1S/C27H25N5O3/c1-2-3-6-17-35-22-15-13-20(14-16-22)24-18-23(28-29-24)19-9-11-21(12-10-19)27(33)31-25-7-4-5-8-26(25)32(34)30-31/h4-5,7-16,18H,2-3,6,17H2,1H3,(H,28,29)