2-[(3-methylphenyl)methyl]-1,4-bis(4-pyridin-2-ylpiperazin-1-yl)butane-1,4-dione

Systemtic Name: 2-[(3-methylphenyl)methyl]-1,4-bis(4-pyridin-2-ylpiperazin-1-yl)butane-1,4-dione Openeye Name: 2-(m-tolylmethyl)-1,4-bis[4-(2-pyridyl)piperazin-1-yl]butane-1,4-dione CAS Name: 2-[(3-methylphenyl)methyl]-1,4-bis[4-(2-pyridinyl)-1-piperazinyl]butane-1,4-dione IUPAC Name: 2-[(3-methylphenyl)methyl]-1,4-bis(4-pyridin-2-ylpiperazin-1-yl)butane-1,4-dione Traditional Name: 2-(3-methylbenzyl)-1,4-bis[4-(2-pyridyl)piperazino]butane-1,4-dione Formula: C30H36N6O2 MolecularWeight: 512.64584

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CC(CC(=O)N2CCN(CC2)C3=CC=CC=N3)C(=O)N4CCN(CC4)C5=CC=CC=N5

Isomeric SMILES

CC1=CC(=CC=C1)CC(CC(=O)N2CCN(CC2)C3=CC=CC=N3)C(=O)N4CCN(CC4)C5=CC=CC=N5

InChI

InChI=1S/C30H36N6O2/c1-24-7-6-8-25(21-24)22-26(30(38)36-19-15-34(16-20-36)28-10-3-5-12-32-28)23-29(37)35-17-13-33(14-18-35)27-9-2-4-11-31-27/h2-12,21,26H,13-20,22-23H2,1H3