3-[(S)-[4-(2-hydroxyethyl)piperazin-1-yl]-pyridin-2-yl-methyl]-1-(2-methoxyethyl)-6-methyl-4-oxidanylidene-pyridin-2-olate

Systemtic Name: 3-[(S)-[4-(2-hydroxyethyl)piperazin-1-yl]-pyridin-2-yl-methyl]-1-(2-methoxyethyl)-6-methyl-4-oxidanylidene-pyridin-2-olate Openeye Name: 3-[(S)-[4-(2-hydroxyethyl)piperazin-1-yl]-(2-pyridyl)methyl]-1-(2-methoxyethyl)-6-methyl-4-oxo-pyridin-2-olate CAS Name: 3-[(S)-[4-(2-hydroxyethyl)-1-piperazinyl]-(2-pyridinyl)methyl]-1-(2-methoxyethyl)-6-methyl-4-oxo-2-pyridinolate IUPAC Name: 3-[(S)-[4-(2-hydroxyethyl)piperazin-1-yl]-pyridin-2-ylmethyl]-1-(2-methoxyethyl)-6-methyl-4-oxopyridin-2-olate Traditional Name: 3-[(S)-[4-(2-hydroxyethyl)piperazino]-(2-pyridyl)methyl]-4-keto-1-(2-methoxyethyl)-6-methyl-pyridin-2-olate Formula: C21H29N4O4- MolecularWeight: 401.47936

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)C(=C(N1CCOC)[O-])C(C2=CC=CC=N2)N3CCN(CC3)CCO

Isomeric SMILES

CC1=CC(=O)C(=C(N1CCOC)[O-])[C@@H](C2=CC=CC=N2)N3CCN(CC3)CCO

InChI

InChI=1S/C21H30N4O4/c1-16-15-18(27)19(21(28)25(16)12-14-29-2)20(17-5-3-4-6-22-17)24-9-7-23(8-10-24)11-13-26/h3-6,15,20,26,28H,7-14H2,1-2H3/p-1/t20-/m1/s1