(2,6-dimethyl-4-propan-2-yl-phenyl) 4-pyridin-4-ylpiperazine-1-carboxylate

Systemtic Name: (2,6-dimethyl-4-propan-2-yl-phenyl) 4-pyridin-4-ylpiperazine-1-carboxylate Openeye Name: (4-isopropyl-2,6-dimethyl-phenyl) 4-(4-pyridyl)piperazine-1-carboxylate CAS Name: 4-pyridin-4-yl-1-piperazinecarboxylic acid (2,6-dimethyl-4-propan-2-ylphenyl) ester IUPAC Name: (2,6-dimethyl-4-propan-2-ylphenyl) 4-pyridin-4-ylpiperazine-1-carboxylate Traditional Name: 4-(4-pyridyl)piperazine-1-carboxylic acid (4-isopropyl-2,6-dimethyl-phenyl) ester Formula: C21H27N3O2 MolecularWeight: 353.45798

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1OC(=O)N2CCN(CC2)C3=CC=NC=C3)C)C(C)C

Isomeric SMILES

CC1=CC(=CC(=C1OC(=O)N2CCN(CC2)C3=CC=NC=C3)C)C(C)C

InChI

InChI=1S/C21H27N3O2/c1-15(2)18-13-16(3)20(17(4)14-18)26-21(25)24-11-9-23(10-12-24)19-5-7-22-8-6-19/h5-8,13-15H,9-12H2,1-4H3