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

Systemtic Name: 7-methyl-5-(4-methylpiperazin-1-yl)-2-[(4-phenoxyphenyl)methyl]-3H-isoindol-1-one Openeye Name: 7-methyl-5-(4-methylpiperazin-1-yl)-2-[(4-phenoxyphenyl)methyl]isoindolin-1-one CAS Name: 7-methyl-5-(4-methyl-1-piperazinyl)-2-[(4-phenoxyphenyl)methyl]-3H-isoindol-1-one IUPAC Name: 7-methyl-5-(4-methylpiperazin-1-yl)-2-[(4-phenoxyphenyl)methyl]-3H-isoindol-1-one Traditional Name: 7-methyl-5-(4-methylpiperazino)-2-(4-phenoxybenzyl)isoindolin-1-one Formula: C27H29N3O2 MolecularWeight: 427.53806

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC(=C1)N3CCN(CC3)C)CN(C2=O)CC4=CC=C(C=C4)OC5=CC=CC=C5

Isomeric SMILES

CC1=C2C(=CC(=C1)N3CCN(CC3)C)CN(C2=O)CC4=CC=C(C=C4)OC5=CC=CC=C5

InChI

InChI=1S/C27H29N3O2/c1-20-16-23(29-14-12-28(2)13-15-29)17-22-19-30(27(31)26(20)22)18-21-8-10-25(11-9-21)32-24-6-4-3-5-7-24/h3-11,16-17H,12-15,18-19H2,1-2H3