1-[4-[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]but-2-ynyl]piperidine-2,6-dione

Systemtic Name: 1-[4-[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]but-2-ynyl]piperidine-2,6-dione Openeye Name: 1-[4-[4-(2-isopropoxyphenyl)piperazin-1-yl]but-2-ynyl]piperidine-2,6-dione CAS Name: 1-[4-[4-(2-propan-2-yloxyphenyl)-1-piperazinyl]but-2-ynyl]piperidine-2,6-dione IUPAC Name: 1-[4-[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]but-2-ynyl]piperidine-2,6-dione Traditional Name: 1-[4-[4-(2-isopropoxyphenyl)piperazino]but-2-ynyl]piperidine-2,6-quinone Formula: C22H29N3O3 MolecularWeight: 383.48396

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=CC=CC=C1N2CCN(CC2)CC#CCN3C(=O)CCCC3=O

Isomeric SMILES

CC(C)OC1=CC=CC=C1N2CCN(CC2)CC#CCN3C(=O)CCCC3=O

InChI

InChI=1S/C22H29N3O3/c1-18(2)28-20-9-4-3-8-19(20)24-16-14-23(15-17-24)12-5-6-13-25-21(26)10-7-11-22(25)27/h3-4,8-9,18H,7,10-17H2,1-2H3