[3-oxidanidyl-2-[5-(4-pentoxyphenyl)-1H-pyrazol-3-yl]-3H-benzotriazol-3-ium-1-yl]-phenyl-methanone

Systemtic Name: [3-oxidanidyl-2-[5-(4-pentoxyphenyl)-1H-pyrazol-3-yl]-3H-benzotriazol-3-ium-1-yl]-phenyl-methanone Openeye Name: [3-oxido-2-[5-(4-pentoxyphenyl)-1H-pyrazol-3-yl]-3H-benzotriazol-3-ium-1-yl]-phenyl-methanone CAS Name: [3-oxido-2-[5-(4-pentoxyphenyl)-1H-pyrazol-3-yl]-3H-benzotriazol-3-ium-1-yl]-phenylmethanone IUPAC Name: [3-oxido-2-[5-(4-pentoxyphenyl)-1H-pyrazol-3-yl]-3H-benzotriazol-3-ium-1-yl]-phenylmethanone Traditional Name: [2-[5-(4-amoxyphenyl)-1H-pyrazol-3-yl]-3-oxido-3H-benzotriazol-3-ium-1-yl]-phenyl-methanone Formula: C27H27N5O3 MolecularWeight: 469.53498

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=CC=C(C=C1)C2=CC(=NN2)N3[NH+](C4=CC=CC=C4N3C(=O)C5=CC=CC=C5)[O-]

Isomeric SMILES

CCCCCOC1=CC=C(C=C1)C2=CC(=NN2)N3[NH+](C4=CC=CC=C4N3C(=O)C5=CC=CC=C5)[O-]

InChI

InChI=1S/C27H27N5O3/c1-2-3-9-18-35-22-16-14-20(15-17-22)23-19-26(29-28-23)31-30(27(33)21-10-5-4-6-11-21)24-12-7-8-13-25(24)32(31)34/h4-8,10-17,19,32H,2-3,9,18H2,1H3,(H,28,29)