4-[4-[(3-methylphenyl)methyl]piperazin-1-yl]-2-(oxolan-2-ylmethyl)isoindole-1,3-dione

Systemtic Name: 4-[4-[(3-methylphenyl)methyl]piperazin-1-yl]-2-(oxolan-2-ylmethyl)isoindole-1,3-dione Openeye Name: 4-[4-(m-tolylmethyl)piperazin-1-yl]-2-(tetrahydrofuran-2-ylmethyl)isoindoline-1,3-dione CAS Name: 4-[4-[(3-methylphenyl)methyl]-1-piperazinyl]-2-(2-oxolanylmethyl)isoindole-1,3-dione IUPAC Name: 4-[4-[(3-methylphenyl)methyl]piperazin-1-yl]-2-(oxolan-2-ylmethyl)isoindole-1,3-dione Traditional Name: 4-[4-(3-methylbenzyl)piperazino]-2-(tetrahydrofurfuryl)isoindoline-1,3-quinone Formula: C25H29N3O3 MolecularWeight: 419.51606

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CN2CCN(CC2)C3=CC=CC4=C3C(=O)N(C4=O)CC5CCCO5

Isomeric SMILES

CC1=CC(=CC=C1)CN2CCN(CC2)C3=CC=CC4=C3C(=O)N(C4=O)CC5CCCO5

InChI

InChI=1S/C25H29N3O3/c1-18-5-2-6-19(15-18)16-26-10-12-27(13-11-26)22-9-3-8-21-23(22)25(30)28(24(21)29)17-20-7-4-14-31-20/h2-3,5-6,8-9,15,20H,4,7,10-14,16-17H2,1H3