4-[1,3-bis(oxidanylidene)isoindol-2-yl]butyl 3-(4-chlorophenyl)-1H-pyrazole-5-carboxylate

Systemtic Name: 4-[1,3-bis(oxidanylidene)isoindol-2-yl]butyl 3-(4-chlorophenyl)-1H-pyrazole-5-carboxylate Openeye Name: 4-(1,3-dioxoisoindolin-2-yl)butyl 3-(4-chlorophenyl)-1H-pyrazole-5-carboxylate CAS Name: 3-(4-chlorophenyl)-1H-pyrazole-5-carboxylic acid 4-(1,3-dioxo-2-isoindolyl)butyl ester IUPAC Name: 4-(1,3-dioxoisoindol-2-yl)butyl 3-(4-chlorophenyl)-1H-pyrazole-5-carboxylate Traditional Name: 3-(4-chlorophenyl)-1H-pyrazole-5-carboxylic acid 4-phthalimidobutyl ester Formula: C22H18ClN3O4 MolecularWeight: 423.84902

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C2=O)CCCCOC(=O)C3=CC(=NN3)C4=CC=C(C=C4)Cl

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C2=O)CCCCOC(=O)C3=CC(=NN3)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C22H18ClN3O4/c23-15-9-7-14(8-10-15)18-13-19(25-24-18)22(29)30-12-4-3-11-26-20(27)16-5-1-2-6-17(16)21(26)28/h1-2,5-10,13H,3-4,11-12H2,(H,24,25)