5-bromanyl-1,3-dimethyl-6-[[(E)-[3-methyl-1-(3-methylphenyl)-5-oxidanylidene-pyrazol-4-ylidene]methyl]amino]benzimidazol-2-one

Systemtic Name: 5-bromanyl-1,3-dimethyl-6-[[(E)-[3-methyl-1-(3-methylphenyl)-5-oxidanylidene-pyrazol-4-ylidene]methyl]amino]benzimidazol-2-one Openeye Name: 5-bromo-1,3-dimethyl-6-[[(E)-[3-methyl-1-(m-tolyl)-5-oxo-pyrazol-4-ylidene]methyl]amino]benzimidazol-2-one CAS Name: 5-bromo-1,3-dimethyl-6-[[(E)-[3-methyl-1-(3-methylphenyl)-5-oxo-4-pyrazolylidene]methyl]amino]-2-benzimidazolone IUPAC Name: 5-bromo-1,3-dimethyl-6-[[(E)-[3-methyl-1-(3-methylphenyl)-5-oxopyrazol-4-ylidene]methyl]amino]benzimidazol-2-one Traditional Name: 5-bromo-6-[[(E)-[5-keto-3-methyl-1-(m-tolyl)-2-pyrazolin-4-ylidene]methyl]amino]-1,3-dimethyl-benzimidazol-2-one Formula: C21H20BrN5O2 MolecularWeight: 454.3198

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2C(=O)C(=CNC3=C(C=C4C(=C3)N(C(=O)N4C)C)Br)C(=N2)C

Isomeric SMILES

CC1=CC(=CC=C1)N2C(=O)/C(=C/NC3=C(C=C4C(=C3)N(C(=O)N4C)C)Br)/C(=N2)C

InChI

InChI=1S/C21H20BrN5O2/c1-12-6-5-7-14(8-12)27-20(28)15(13(2)24-27)11-23-17-10-19-18(9-16(17)22)25(3)21(29)26(19)4/h5-11,23H,1-4H3/b15-11+