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

Systemtic Name: 1-(1H-benzimidazol-2-yl)-3-[(3-methylphenyl)amino]-6,7-dihydro-5H-indazol-4-one Openeye Name: 1-(1H-benzimidazol-2-yl)-3-(3-methylanilino)-6,7-dihydro-5H-indazol-4-one CAS Name: 1-(1H-benzimidazol-2-yl)-3-(3-methylanilino)-6,7-dihydro-5H-indazol-4-one IUPAC Name: 1-(1H-benzimidazol-2-yl)-3-(3-methylanilino)-6,7-dihydro-5H-indazol-4-one Traditional Name: 1-(1H-benzimidazol-2-yl)-3-(m-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=C1)NC2=NN(C3=C2C(=O)CCC3)C4=NC5=CC=CC=C5N4

Isomeric SMILES

CC1=CC(=CC=C1)NC2=NN(C3=C2C(=O)CCC3)C4=NC5=CC=CC=C5N4

InChI

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