2-(1H-benzimidazol-2-yl)-4-[(4-tert-butylphenyl)methyl]-5-methyl-1H-pyrazol-3-one

Systemtic Name: 2-(1H-benzimidazol-2-yl)-4-[(4-tert-butylphenyl)methyl]-5-methyl-1H-pyrazol-3-one Openeye Name: 2-(1H-benzimidazol-2-yl)-4-[(4-tert-butylphenyl)methyl]-5-methyl-1H-pyrazol-3-one CAS Name: 2-(1H-benzimidazol-2-yl)-4-[(4-tert-butylphenyl)methyl]-5-methyl-1H-pyrazol-3-one IUPAC Name: 2-(1H-benzimidazol-2-yl)-4-[(4-tert-butylphenyl)methyl]-5-methyl-1H-pyrazol-3-one Traditional Name: 2-(1H-benzimidazol-2-yl)-4-(4-tert-butylbenzyl)-5-methyl-3-pyrazolin-3-one Formula: C22H24N4O MolecularWeight: 360.45216

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1)C2=NC3=CC=CC=C3N2)CC4=CC=C(C=C4)C(C)(C)C

Isomeric SMILES

CC1=C(C(=O)N(N1)C2=NC3=CC=CC=C3N2)CC4=CC=C(C=C4)C(C)(C)C

InChI

InChI=1S/C22H24N4O/c1-14-17(13-15-9-11-16(12-10-15)22(2,3)4)20(27)26(25-14)21-23-18-7-5-6-8-19(18)24-21/h5-12,25H,13H2,1-4H3,(H,23,24)