4-[1,3-bis(oxidanylidene)isoindol-2-yl]butyl 5-chloranyl-3-methyl-1-(phenylmethyl)pyrazole-4-carboxylate

Systemtic Name: 4-[1,3-bis(oxidanylidene)isoindol-2-yl]butyl 5-chloranyl-3-methyl-1-(phenylmethyl)pyrazole-4-carboxylate Openeye Name: 4-(1,3-dioxoisoindolin-2-yl)butyl 1-benzyl-5-chloro-3-methyl-pyrazole-4-carboxylate CAS Name: 5-chloro-3-methyl-1-(phenylmethyl)-4-pyrazolecarboxylic acid 4-(1,3-dioxo-2-isoindolyl)butyl ester IUPAC Name: 4-(1,3-dioxoisoindol-2-yl)butyl 1-benzyl-5-chloro-3-methylpyrazole-4-carboxylate Traditional Name: 1-benzyl-5-chloro-3-methyl-pyrazole-4-carboxylic acid 4-phthalimidobutyl ester Formula: C24H22ClN3O4 MolecularWeight: 451.90218

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C(=O)OCCCCN2C(=O)C3=CC=CC=C3C2=O)Cl)CC4=CC=CC=C4

Isomeric SMILES

CC1=NN(C(=C1C(=O)OCCCCN2C(=O)C3=CC=CC=C3C2=O)Cl)CC4=CC=CC=C4

InChI

InChI=1S/C24H22ClN3O4/c1-16-20(21(25)28(26-16)15-17-9-3-2-4-10-17)24(31)32-14-8-7-13-27-22(29)18-11-5-6-12-19(18)23(27)30/h2-6,9-12H,7-8,13-15H2,1H3