(4-pyrimidin-2-ylpiperazin-1-yl)-(3,4,5-triethoxyphenyl)methanone

Systemtic Name: (4-pyrimidin-2-ylpiperazin-1-yl)-(3,4,5-triethoxyphenyl)methanone Openeye Name: (4-pyrimidin-2-ylpiperazin-1-yl)-(3,4,5-triethoxyphenyl)methanone CAS Name: [4-(2-pyrimidinyl)-1-piperazinyl]-(3,4,5-triethoxyphenyl)methanone IUPAC Name: (4-pyrimidin-2-ylpiperazin-1-yl)-(3,4,5-triethoxyphenyl)methanone Traditional Name: [4-(2-pyrimidyl)piperazino]-(3,4,5-triethoxyphenyl)methanone Formula: C21H28N4O4 MolecularWeight: 400.47142

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=CC(=C1OCC)OCC)C(=O)N2CCN(CC2)C3=NC=CC=N3

Isomeric SMILES

CCOC1=CC(=CC(=C1OCC)OCC)C(=O)N2CCN(CC2)C3=NC=CC=N3

InChI

InChI=1S/C21H28N4O4/c1-4-27-17-14-16(15-18(28-5-2)19(17)29-6-3)20(26)24-10-12-25(13-11-24)21-22-8-7-9-23-21/h7-9,14-15H,4-6,10-13H2,1-3H3