1-(1H-benzimidazol-2-yl)-3-[(2-methylphenyl)amino]-6,7-dihydro-5H-indazol-4-one

Systemtic Name: 1-(1H-benzimidazol-2-yl)-3-[(2-methylphenyl)amino]-6,7-dihydro-5H-indazol-4-one Openeye Name: 1-(1H-benzimidazol-2-yl)-3-(2-methylanilino)-6,7-dihydro-5H-indazol-4-one CAS Name: 1-(1H-benzimidazol-2-yl)-3-(2-methylanilino)-6,7-dihydro-5H-indazol-4-one IUPAC Name: 1-(1H-benzimidazol-2-yl)-3-(2-methylanilino)-6,7-dihydro-5H-indazol-4-one Traditional Name: 1-(1H-benzimidazol-2-yl)-3-(o-toluidino)-6,7-dihydro-5H-indazol-4-one Formula: C21H19N5O MolecularWeight: 357.40846

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC2=NN(C3=C2C(=O)CCC3)C4=NC5=CC=CC=C5N4

Isomeric SMILES

CC1=CC=CC=C1NC2=NN(C3=C2C(=O)CCC3)C4=NC5=CC=CC=C5N4

InChI

InChI=1S/C21H19N5O/c1-13-7-2-3-8-14(13)22-20-19-17(11-6-12-18(19)27)26(25-20)21-23-15-9-4-5-10-16(15)24-21/h2-5,7-10H,6,11-12H2,1H3,(H,22,25)(H,23,24)