4-[4-(4-cyclohexylpiperazin-1-yl)carbonylpiperidin-1-yl]-2-(1,3-thiazol-2-ylmethyl)isoindole-1,3-dione

Systemtic Name: 4-[4-(4-cyclohexylpiperazin-1-yl)carbonylpiperidin-1-yl]-2-(1,3-thiazol-2-ylmethyl)isoindole-1,3-dione Openeye Name: 4-[4-(4-cyclohexylpiperazine-1-carbonyl)-1-piperidyl]-2-(thiazol-2-ylmethyl)isoindoline-1,3-dione CAS Name: 4-[4-[(4-cyclohexyl-1-piperazinyl)-oxomethyl]-1-piperidinyl]-2-(2-thiazolylmethyl)isoindole-1,3-dione IUPAC Name: 4-[4-(4-cyclohexylpiperazine-1-carbonyl)piperidin-1-yl]-2-(1,3-thiazol-2-ylmethyl)isoindole-1,3-dione Traditional Name: 4-[4-(4-cyclohexylpiperazine-1-carbonyl)piperidino]-2-(thiazol-2-ylmethyl)isoindoline-1,3-quinone Formula: C28H35N5O3S MolecularWeight: 521.6742

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N2CCN(CC2)C(=O)C3CCN(CC3)C4=CC=CC5=C4C(=O)N(C5=O)CC6=NC=CS6

Isomeric SMILES

C1CCC(CC1)N2CCN(CC2)C(=O)C3CCN(CC3)C4=CC=CC5=C4C(=O)N(C5=O)CC6=NC=CS6

InChI

InChI=1S/C28H35N5O3S/c34-26(32-16-14-30(15-17-32)21-5-2-1-3-6-21)20-9-12-31(13-10-20)23-8-4-7-22-25(23)28(36)33(27(22)35)19-24-29-11-18-37-24/h4,7-8,11,18,20-21H,1-3,5-6,9-10,12-17,19H2