1-(4-methoxyphenyl)-4-[(3R,4R)-4-(4-methylpiperazin-1-yl)-3-oxidanyl-piperidin-1-yl]butane-1,4-dione

Systemtic Name: 1-(4-methoxyphenyl)-4-[(3R,4R)-4-(4-methylpiperazin-1-yl)-3-oxidanyl-piperidin-1-yl]butane-1,4-dione Openeye Name: 1-[(3R,4R)-3-hydroxy-4-(4-methylpiperazin-1-yl)-1-piperidyl]-4-(4-methoxyphenyl)butane-1,4-dione CAS Name: 1-[(3R,4R)-3-hydroxy-4-(4-methyl-1-piperazinyl)-1-piperidinyl]-4-(4-methoxyphenyl)butane-1,4-dione IUPAC Name: 1-[(3R,4R)-3-hydroxy-4-(4-methylpiperazin-1-yl)piperidin-1-yl]-4-(4-methoxyphenyl)butane-1,4-dione Traditional Name: 1-[(3R,4R)-3-hydroxy-4-(4-methylpiperazino)piperidino]-4-(4-methoxyphenyl)butane-1,4-dione Formula: C21H31N3O4 MolecularWeight: 389.48854

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2CCN(CC2O)C(=O)CCC(=O)C3=CC=C(C=C3)OC

Isomeric SMILES

CN1CCN(CC1)[C@@H]2CCN(C[C@H]2O)C(=O)CCC(=O)C3=CC=C(C=C3)OC

InChI

InChI=1S/C21H31N3O4/c1-22-11-13-23(14-12-22)18-9-10-24(15-20(18)26)21(27)8-7-19(25)16-3-5-17(28-2)6-4-16/h3-6,18,20,26H,7-15H2,1-2H3/t18-,20-/m1/s1