3-[4-(3,3-diphenylpropyl)piperazin-1-yl]-2-(1,3-thiazol-4-ylmethyl)-3H-isoindol-1-one

Systemtic Name: 3-[4-(3,3-diphenylpropyl)piperazin-1-yl]-2-(1,3-thiazol-4-ylmethyl)-3H-isoindol-1-one Openeye Name: 3-[4-(3,3-diphenylpropyl)piperazin-1-yl]-2-(thiazol-4-ylmethyl)isoindolin-1-one CAS Name: 3-[4-(3,3-diphenylpropyl)-1-piperazinyl]-2-(4-thiazolylmethyl)-3H-isoindol-1-one IUPAC Name: 3-[4-(3,3-diphenylpropyl)piperazin-1-yl]-2-(1,3-thiazol-4-ylmethyl)-3H-isoindol-1-one Traditional Name: 3-[4-(3,3-diphenylpropyl)piperazino]-2-(thiazol-4-ylmethyl)isoindolin-1-one Formula: C31H32N4OS MolecularWeight: 508.67698

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCC(C2=CC=CC=C2)C3=CC=CC=C3)C4C5=CC=CC=C5C(=O)N4CC6=CSC=N6

Isomeric SMILES

C1CN(CCN1CCC(C2=CC=CC=C2)C3=CC=CC=C3)C4C5=CC=CC=C5C(=O)N4CC6=CSC=N6

InChI

InChI=1S/C31H32N4OS/c36-31-29-14-8-7-13-28(29)30(35(31)21-26-22-37-23-32-26)34-19-17-33(18-20-34)16-15-27(24-9-3-1-4-10-24)25-11-5-2-6-12-25/h1-14,22-23,27,30H,15-21H2