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

Systemtic Name: 7-methyl-5-[3-(4-methylpiperazin-1-yl)propyl]-2-[(4-phenoxyphenyl)methyl]-3H-isoindol-1-one Openeye Name: 7-methyl-5-[3-(4-methylpiperazin-1-yl)propyl]-2-[(4-phenoxyphenyl)methyl]isoindolin-1-one CAS Name: 7-methyl-5-[3-(4-methyl-1-piperazinyl)propyl]-2-[(4-phenoxyphenyl)methyl]-3H-isoindol-1-one IUPAC Name: 7-methyl-5-[3-(4-methylpiperazin-1-yl)propyl]-2-[(4-phenoxyphenyl)methyl]-3H-isoindol-1-one Traditional Name: 7-methyl-5-[3-(4-methylpiperazino)propyl]-2-(4-phenoxybenzyl)isoindolin-1-one Formula: C30H35N3O2 MolecularWeight: 469.6178

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC(=C1)CCCN3CCN(CC3)C)CN(C2=O)CC4=CC=C(C=C4)OC5=CC=CC=C5

Isomeric SMILES

CC1=C2C(=CC(=C1)CCCN3CCN(CC3)C)CN(C2=O)CC4=CC=C(C=C4)OC5=CC=CC=C5

InChI

InChI=1S/C30H35N3O2/c1-23-19-25(7-6-14-32-17-15-31(2)16-18-32)20-26-22-33(30(34)29(23)26)21-24-10-12-28(13-11-24)35-27-8-4-3-5-9-27/h3-5,8-13,19-20H,6-7,14-18,21-22H2,1-2H3