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

Systemtic Name: 5-cyano-4-methyl-6-oxidanylidene-3-[[4-(phenylmethyl)piperazin-1-yl]methyl]-1-prop-2-enyl-pyridin-2-olate Openeye Name: 1-allyl-3-[(4-benzylpiperazin-1-yl)methyl]-5-cyano-4-methyl-6-oxo-pyridin-2-olate CAS Name: 5-cyano-4-methyl-6-oxo-3-[[4-(phenylmethyl)-1-piperazinyl]methyl]-1-prop-2-enyl-2-pyridinolate IUPAC Name: 3-[(4-benzylpiperazin-1-yl)methyl]-5-cyano-4-methyl-6-oxo-1-prop-2-enylpyridin-2-olate Traditional Name: 1-allyl-3-[(4-benzylpiperazino)methyl]-5-cyano-6-keto-4-methyl-pyridin-2-olate Formula: C22H25N4O2- MolecularWeight: 377.4595

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26N4O2/c1-3-9-26-21(27)19(14-23)17(2)20(22(26)28)16-25-12-10-24(11-13-25)15-18-7-5-4-6-8-18/h3-8,28H,1,9-13,15-16H2,2H3/p-1