3-(4-methylpiperazin-1-yl)propyl N-[6-[1-oxidanyl-3-oxidanylidene-2-(phenylmethyl)isoindol-1-yl]-1H-benzimidazol-2-yl]carbamate

Systemtic Name: 3-(4-methylpiperazin-1-yl)propyl N-[6-[1-oxidanyl-3-oxidanylidene-2-(phenylmethyl)isoindol-1-yl]-1H-benzimidazol-2-yl]carbamate Openeye Name: 3-(4-methylpiperazin-1-yl)propyl N-[6-(2-benzyl-1-hydroxy-3-oxo-isoindolin-1-yl)-1H-benzimidazol-2-yl]carbamate CAS Name: N-[6-[1-hydroxy-3-oxo-2-(phenylmethyl)-1-isoindolyl]-1H-benzimidazol-2-yl]carbamic acid 3-(4-methyl-1-piperazinyl)propyl ester IUPAC Name: 3-(4-methylpiperazin-1-yl)propyl N-[6-(2-benzyl-1-hydroxy-3-oxoisoindol-1-yl)-1H-benzimidazol-2-yl]carbamate Traditional Name: N-[6-(2-benzyl-1-hydroxy-3-keto-isoindolin-1-yl)-1H-benzimidazol-2-yl]carbamic acid 3-(4-methylpiperazino)propyl ester Formula: C31H34N6O4 MolecularWeight: 554.63946

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)CCCOC(=O)NC2=NC3=C(N2)C=C(C=C3)C4(C5=CC=CC=C5C(=O)N4CC6=CC=CC=C6)O

Isomeric SMILES

CN1CCN(CC1)CCCOC(=O)NC2=NC3=C(N2)C=C(C=C3)C4(C5=CC=CC=C5C(=O)N4CC6=CC=CC=C6)O

InChI

InChI=1S/C31H34N6O4/c1-35-15-17-36(18-16-35)14-7-19-41-30(39)34-29-32-26-13-12-23(20-27(26)33-29)31(40)25-11-6-5-10-24(25)28(38)37(31)21-22-8-3-2-4-9-22/h2-6,8-13,20,40H,7,14-19,21H2,1H3,(H2,32,33,34,39)