6-[4-(3,3-diphenylpropyl)piperazin-1-yl]-2-(1,3-thiazol-4-ylmethyl)-3H-isoindol-1-one

Systemtic Name: 6-[4-(3,3-diphenylpropyl)piperazin-1-yl]-2-(1,3-thiazol-4-ylmethyl)-3H-isoindol-1-one Openeye Name: 6-[4-(3,3-diphenylpropyl)piperazin-1-yl]-2-(thiazol-4-ylmethyl)isoindolin-1-one CAS Name: 6-[4-(3,3-diphenylpropyl)-1-piperazinyl]-2-(4-thiazolylmethyl)-3H-isoindol-1-one IUPAC Name: 6-[4-(3,3-diphenylpropyl)piperazin-1-yl]-2-(1,3-thiazol-4-ylmethyl)-3H-isoindol-1-one Traditional Name: 6-[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)C4=CC5=C(CN(C5=O)CC6=CSC=N6)C=C4

Isomeric SMILES

C1CN(CCN1CCC(C2=CC=CC=C2)C3=CC=CC=C3)C4=CC5=C(CN(C5=O)CC6=CSC=N6)C=C4

InChI

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