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

Systemtic Name: 4-[4-[(3-methoxyphenyl)methyl]piperazin-1-yl]-2-(thiophen-3-ylmethyl)isoindole-1,3-dione Openeye Name: 4-[4-[(3-methoxyphenyl)methyl]piperazin-1-yl]-2-(3-thienylmethyl)isoindoline-1,3-dione CAS Name: 4-[4-[(3-methoxyphenyl)methyl]-1-piperazinyl]-2-(3-thiophenylmethyl)isoindole-1,3-dione IUPAC Name: 4-[4-[(3-methoxyphenyl)methyl]piperazin-1-yl]-2-(thiophen-3-ylmethyl)isoindole-1,3-dione Traditional Name: 4-(4-m-anisylpiperazino)-2-(3-thenyl)isoindoline-1,3-quinone Formula: C25H25N3O3S MolecularWeight: 447.5493

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)CN2CCN(CC2)C3=CC=CC4=C3C(=O)N(C4=O)CC5=CSC=C5

Isomeric SMILES

COC1=CC=CC(=C1)CN2CCN(CC2)C3=CC=CC4=C3C(=O)N(C4=O)CC5=CSC=C5

InChI

InChI=1S/C25H25N3O3S/c1-31-20-5-2-4-18(14-20)15-26-9-11-27(12-10-26)22-7-3-6-21-23(22)25(30)28(24(21)29)16-19-8-13-32-17-19/h2-8,13-14,17H,9-12,15-16H2,1H3