[1-methyl-5-(4-octoxyphenyl)pyrazol-3-yl]-(3-oxidanylbenzotriazol-4-yl)methanone

Systemtic Name: [1-methyl-5-(4-octoxyphenyl)pyrazol-3-yl]-(3-oxidanylbenzotriazol-4-yl)methanone Openeye Name: (3-hydroxybenzotriazol-4-yl)-[1-methyl-5-(4-octoxyphenyl)pyrazol-3-yl]methanone CAS Name: (3-hydroxy-4-benzotriazolyl)-[1-methyl-5-(4-octoxyphenyl)-3-pyrazolyl]methanone IUPAC Name: (3-hydroxybenzotriazol-4-yl)-[1-methyl-5-(4-octoxyphenyl)pyrazol-3-yl]methanone Traditional Name: (3-hydroxybenzotriazol-4-yl)-[1-methyl-5-(4-octoxyphenyl)pyrazol-3-yl]methanone Formula: C25H29N5O3 MolecularWeight: 447.52946

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=CC=C(C=C1)C2=CC(=NN2C)C(=O)C3=C4C(=CC=C3)N=NN4O

Isomeric SMILES

CCCCCCCCOC1=CC=C(C=C1)C2=CC(=NN2C)C(=O)C3=C4C(=CC=C3)N=NN4O

InChI

InChI=1S/C25H29N5O3/c1-3-4-5-6-7-8-16-33-19-14-12-18(13-15-19)23-17-22(27-29(23)2)25(31)20-10-9-11-21-24(20)30(32)28-26-21/h9-15,17,32H,3-8,16H2,1-2H3