4-butoxy-N-[2-oxidanylidene-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]benzamide

Systemtic Name: 4-butoxy-N-[2-oxidanylidene-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]benzamide Openeye Name: 4-butoxy-N-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]benzamide CAS Name: 4-butoxy-N-[2-oxo-2-[4-(2-pyrimidinyl)-1-piperazinyl]ethyl]benzamide IUPAC Name: 4-butoxy-N-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]benzamide Traditional Name: 4-butoxy-N-[2-keto-2-[4-(2-pyrimidyl)piperazino]ethyl]benzamide Formula: C21H27N5O3 MolecularWeight: 397.47078

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C(=O)NCC(=O)N2CCN(CC2)C3=NC=CC=N3

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C(=O)NCC(=O)N2CCN(CC2)C3=NC=CC=N3

InChI

InChI=1S/C21H27N5O3/c1-2-3-15-29-18-7-5-17(6-8-18)20(28)24-16-19(27)25-11-13-26(14-12-25)21-22-9-4-10-23-21/h4-10H,2-3,11-16H2,1H3,(H,24,28)