pyridin-3-yl 4-[2-(1-hydroxyethyl)pyrimidin-4-yl]-2-phenyl-piperazine-1-carboxylate

Systemtic Name: pyridin-3-yl 4-[2-(1-hydroxyethyl)pyrimidin-4-yl]-2-phenyl-piperazine-1-carboxylate Openeye Name: 3-pyridyl 4-[2-(1-hydroxyethyl)pyrimidin-4-yl]-2-phenyl-piperazine-1-carboxylate CAS Name: 4-[2-(1-hydroxyethyl)-4-pyrimidinyl]-2-phenyl-1-piperazinecarboxylic acid 3-pyridinyl ester IUPAC Name: pyridin-3-yl 4-[2-(1-hydroxyethyl)pyrimidin-4-yl]-2-phenylpiperazine-1-carboxylate Traditional Name: 4-[2-(1-hydroxyethyl)pyrimidin-4-yl]-2-phenyl-piperazine-1-carboxylic acid 3-pyridyl ester Formula: C22H23N5O3 MolecularWeight: 405.44972

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=NC=CC(=N1)N2CCN(C(C2)C3=CC=CC=C3)C(=O)OC4=CN=CC=C4)O

Isomeric SMILES

CC(C1=NC=CC(=N1)N2CCN(C(C2)C3=CC=CC=C3)C(=O)OC4=CN=CC=C4)O

InChI

InChI=1S/C22H23N5O3/c1-16(28)21-24-11-9-20(25-21)26-12-13-27(19(15-26)17-6-3-2-4-7-17)22(29)30-18-8-5-10-23-14-18/h2-11,14,16,19,28H,12-13,15H2,1H3