[3-ethoxy-4-(2-methylpropoxy)phenyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone

Systemtic Name: [3-ethoxy-4-(2-methylpropoxy)phenyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone Openeye Name: (3-ethoxy-4-isobutoxy-phenyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone CAS Name: [3-ethoxy-4-(2-methylpropoxy)phenyl]-[4-(2-pyrimidinyl)-1-piperazinyl]methanone IUPAC Name: [3-ethoxy-4-(2-methylpropoxy)phenyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone Traditional Name: (3-ethoxy-4-isobutoxy-phenyl)-[4-(2-pyrimidyl)piperazino]methanone Formula: C21H28N4O3 MolecularWeight: 384.47202

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C(=O)N2CCN(CC2)C3=NC=CC=N3)OCC(C)C

Isomeric SMILES

CCOC1=C(C=CC(=C1)C(=O)N2CCN(CC2)C3=NC=CC=N3)OCC(C)C

InChI

InChI=1S/C21H28N4O3/c1-4-27-19-14-17(6-7-18(19)28-15-16(2)3)20(26)24-10-12-25(13-11-24)21-22-8-5-9-23-21/h5-9,14,16H,4,10-13,15H2,1-3H3