(3-chloranyl-5-ethoxy-4-propoxy-phenyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone

Systemtic Name: (3-chloranyl-5-ethoxy-4-propoxy-phenyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone Openeye Name: (3-chloro-5-ethoxy-4-propoxy-phenyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone CAS Name: (3-chloro-5-ethoxy-4-propoxyphenyl)-[4-(2-pyrimidinyl)-1-piperazinyl]methanone IUPAC Name: (3-chloro-5-ethoxy-4-propoxyphenyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone Traditional Name: (3-chloro-5-ethoxy-4-propoxy-phenyl)-[4-(2-pyrimidyl)piperazino]methanone Formula: C20H25ClN4O3 MolecularWeight: 404.8905

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1Cl)C(=O)N2CCN(CC2)C3=NC=CC=N3)OCC

Isomeric SMILES

CCCOC1=C(C=C(C=C1Cl)C(=O)N2CCN(CC2)C3=NC=CC=N3)OCC

InChI

InChI=1S/C20H25ClN4O3/c1-3-12-28-18-16(21)13-15(14-17(18)27-4-2)19(26)24-8-10-25(11-9-24)20-22-6-5-7-23-20/h5-7,13-14H,3-4,8-12H2,1-2H3