5-cyano-1-(2-hydroxyethyl)-4-methyl-6-oxidanylidene-3-[[4-(phenylmethyl)piperazin-1-yl]methyl]pyridin-2-olate

Systemtic Name: 5-cyano-1-(2-hydroxyethyl)-4-methyl-6-oxidanylidene-3-[[4-(phenylmethyl)piperazin-1-yl]methyl]pyridin-2-olate Openeye Name: 3-[(4-benzylpiperazin-1-yl)methyl]-5-cyano-1-(2-hydroxyethyl)-4-methyl-6-oxo-pyridin-2-olate CAS Name: 5-cyano-1-(2-hydroxyethyl)-4-methyl-6-oxo-3-[[4-(phenylmethyl)-1-piperazinyl]methyl]-2-pyridinolate IUPAC Name: 3-[(4-benzylpiperazin-1-yl)methyl]-5-cyano-1-(2-hydroxyethyl)-4-methyl-6-oxopyridin-2-olate Traditional Name: 3-[(4-benzylpiperazino)methyl]-5-cyano-1-(2-hydroxyethyl)-6-keto-4-methyl-pyridin-2-olate Formula: C21H25N4O3- MolecularWeight: 381.4482

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(C(=C1CN2CCN(CC2)CC3=CC=CC=C3)[O-])CCO)C#N

Isomeric SMILES

CC1=C(C(=O)N(C(=C1CN2CCN(CC2)CC3=CC=CC=C3)[O-])CCO)C#N

InChI

InChI=1S/C21H26N4O3/c1-16-18(13-22)20(27)25(11-12-26)21(28)19(16)15-24-9-7-23(8-10-24)14-17-5-3-2-4-6-17/h2-6,26,28H,7-12,14-15H2,1H3/p-1