5-butyl-4-(2,4-dichlorophenyl)-3-phenyl-1,4-dihydropyrrolo[3,4-c]pyrazol-6-one

Systemtic Name: 5-butyl-4-(2,4-dichlorophenyl)-3-phenyl-1,4-dihydropyrrolo[3,4-c]pyrazol-6-one Openeye Name: 5-butyl-4-(2,4-dichlorophenyl)-3-phenyl-1,4-dihydropyrrolo[3,4-c]pyrazol-6-one CAS Name: 5-butyl-4-(2,4-dichlorophenyl)-3-phenyl-1,4-dihydropyrrolo[3,4-c]pyrazol-6-one IUPAC Name: 5-butyl-4-(2,4-dichlorophenyl)-3-phenyl-1,4-dihydropyrrolo[3,4-c]pyrazol-6-one Traditional Name: 5-butyl-4-(2,4-dichlorophenyl)-3-phenyl-1,4-dihydropyrrolo[3,4-c]pyrazol-6-one Formula: C21H19Cl2N3O MolecularWeight: 400.30106

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(C2=C(C1=O)NN=C2C3=CC=CC=C3)C4=C(C=C(C=C4)Cl)Cl

Isomeric SMILES

CCCCN1C(C2=C(C1=O)NN=C2C3=CC=CC=C3)C4=C(C=C(C=C4)Cl)Cl

InChI

InChI=1S/C21H19Cl2N3O/c1-2-3-11-26-20(15-10-9-14(22)12-16(15)23)17-18(13-7-5-4-6-8-13)24-25-19(17)21(26)27/h4-10,12,20H,2-3,11H2,1H3,(H,24,25)