4-butoxy-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]benzamide

Systemtic Name: 4-butoxy-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]benzamide Openeye Name: 4-butoxy-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]benzamide CAS Name: 4-butoxy-N-[3-[4-(2-pyrimidinyl)-1-piperazinyl]propyl]benzamide IUPAC Name: 4-butoxy-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]benzamide Traditional Name: 4-butoxy-N-[3-[4-(2-pyrimidyl)piperazino]propyl]benzamide Formula: C22H31N5O2 MolecularWeight: 397.51384

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C(=O)NCCCN2CCN(CC2)C3=NC=CC=N3

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C(=O)NCCCN2CCN(CC2)C3=NC=CC=N3

InChI

InChI=1S/C22H31N5O2/c1-2-3-18-29-20-8-6-19(7-9-20)21(28)23-12-5-13-26-14-16-27(17-15-26)22-24-10-4-11-25-22/h4,6-11H,2-3,5,12-18H2,1H3,(H,23,28)