7-chloranyl-5-[3-(4-methylpiperazin-1-yl)propyl]-2-[(4-phenoxyphenyl)methyl]-3H-isoindol-1-one

Systemtic Name: 7-chloranyl-5-[3-(4-methylpiperazin-1-yl)propyl]-2-[(4-phenoxyphenyl)methyl]-3H-isoindol-1-one Openeye Name: 7-chloro-5-[3-(4-methylpiperazin-1-yl)propyl]-2-[(4-phenoxyphenyl)methyl]isoindolin-1-one CAS Name: 7-chloro-5-[3-(4-methyl-1-piperazinyl)propyl]-2-[(4-phenoxyphenyl)methyl]-3H-isoindol-1-one IUPAC Name: 7-chloro-5-[3-(4-methylpiperazin-1-yl)propyl]-2-[(4-phenoxyphenyl)methyl]-3H-isoindol-1-one Traditional Name: 7-chloro-5-[3-(4-methylpiperazino)propyl]-2-(4-phenoxybenzyl)isoindolin-1-one Formula: C29H32ClN3O2 MolecularWeight: 490.03628

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)CCCC2=CC(=C3C(=C2)CN(C3=O)CC4=CC=C(C=C4)OC5=CC=CC=C5)Cl

Isomeric SMILES

CN1CCN(CC1)CCCC2=CC(=C3C(=C2)CN(C3=O)CC4=CC=C(C=C4)OC5=CC=CC=C5)Cl

InChI

InChI=1S/C29H32ClN3O2/c1-31-14-16-32(17-15-31)13-5-6-23-18-24-21-33(29(34)28(24)27(30)19-23)20-22-9-11-26(12-10-22)35-25-7-3-2-4-8-25/h2-4,7-12,18-19H,5-6,13-17,20-21H2,1H3