2,4-bis(3-methyl-2-oxidanylidene-pyridin-1-yl)-1-[4-(phenylmethyl)piperazin-1-yl]butane-1,3-dione

Systemtic Name: 2,4-bis(3-methyl-2-oxidanylidene-pyridin-1-yl)-1-[4-(phenylmethyl)piperazin-1-yl]butane-1,3-dione Openeye Name: 1-(4-benzylpiperazin-1-yl)-2,4-bis(3-methyl-2-oxo-1-pyridyl)butane-1,3-dione CAS Name: 2,4-bis(3-methyl-2-oxo-1-pyridinyl)-1-[4-(phenylmethyl)-1-piperazinyl]butane-1,3-dione IUPAC Name: 1-(4-benzylpiperazin-1-yl)-2,4-bis(3-methyl-2-oxopyridin-1-yl)butane-1,3-dione Traditional Name: 1-(4-benzylpiperazino)-2,4-bis(2-keto-3-methyl-1-pyridyl)butane-1,3-dione Formula: C27H30N4O4 MolecularWeight: 474.5515

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CN(C1=O)CC(=O)C(C(=O)N2CCN(CC2)CC3=CC=CC=C3)N4C=CC=C(C4=O)C

Isomeric SMILES

CC1=CC=CN(C1=O)CC(=O)C(C(=O)N2CCN(CC2)CC3=CC=CC=C3)N4C=CC=C(C4=O)C

InChI

InChI=1S/C27H30N4O4/c1-20-8-6-12-30(25(20)33)19-23(32)24(31-13-7-9-21(2)26(31)34)27(35)29-16-14-28(15-17-29)18-22-10-4-3-5-11-22/h3-13,24H,14-19H2,1-2H3