1-[4-[4-(2-methoxyphenyl)piperazin-1-yl]but-2-ynyl]-3-(phenylmethyl)pyrrolidine-2,5-dione

Systemtic Name: 1-[4-[4-(2-methoxyphenyl)piperazin-1-yl]but-2-ynyl]-3-(phenylmethyl)pyrrolidine-2,5-dione Openeye Name: 3-benzyl-1-[4-[4-(2-methoxyphenyl)piperazin-1-yl]but-2-ynyl]pyrrolidine-2,5-dione CAS Name: 1-[4-[4-(2-methoxyphenyl)-1-piperazinyl]but-2-ynyl]-3-(phenylmethyl)pyrrolidine-2,5-dione IUPAC Name: 3-benzyl-1-[4-[4-(2-methoxyphenyl)piperazin-1-yl]but-2-ynyl]pyrrolidine-2,5-dione Traditional Name: 3-benzyl-1-[4-[4-(2-methoxyphenyl)piperazino]but-2-ynyl]pyrrolidine-2,5-quinone Formula: C26H29N3O3 MolecularWeight: 431.52676

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N2CCN(CC2)CC#CCN3C(=O)CC(C3=O)CC4=CC=CC=C4

Isomeric SMILES

COC1=CC=CC=C1N2CCN(CC2)CC#CCN3C(=O)CC(C3=O)CC4=CC=CC=C4

InChI

InChI=1S/C26H29N3O3/c1-32-24-12-6-5-11-23(24)28-17-15-27(16-18-28)13-7-8-14-29-25(30)20-22(26(29)31)19-21-9-3-2-4-10-21/h2-6,9-12,22H,13-20H2,1H3