1-[4-(benzotriazol-1-yl)-2-methyl-3-(4-methylphenyl)-3H-pyrazol-4-yl]pentan-1-one

Systemtic Name: 1-[4-(benzotriazol-1-yl)-2-methyl-3-(4-methylphenyl)-3H-pyrazol-4-yl]pentan-1-one Openeye Name: 1-[4-(benzotriazol-1-yl)-2-methyl-3-(p-tolyl)-3H-pyrazol-4-yl]pentan-1-one CAS Name: 1-[4-(1-benzotriazolyl)-2-methyl-3-(4-methylphenyl)-3H-pyrazol-4-yl]-1-pentanone IUPAC Name: 1-[4-(benzotriazol-1-yl)-2-methyl-3-(4-methylphenyl)-3H-pyrazol-4-yl]pentan-1-one Traditional Name: 1-[4-(benzotriazol-1-yl)-1-methyl-5-(p-tolyl)-2-pyrazolin-4-yl]pentan-1-one Formula: C22H25N5O MolecularWeight: 375.4668

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)C1(C=NN(C1C2=CC=C(C=C2)C)C)N3C4=CC=CC=C4N=N3

Isomeric SMILES

CCCCC(=O)C1(C=NN(C1C2=CC=C(C=C2)C)C)N3C4=CC=CC=C4N=N3

InChI

InChI=1S/C22H25N5O/c1-4-5-10-20(28)22(27-19-9-7-6-8-18(19)24-25-27)15-23-26(3)21(22)17-13-11-16(2)12-14-17/h6-9,11-15,21H,4-5,10H2,1-3H3