4-(4-methoxyphenoxy)-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]butanamide

Systemtic Name: 4-(4-methoxyphenoxy)-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]butanamide Openeye Name: 4-(4-methoxyphenoxy)-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]butanamide CAS Name: 4-(4-methoxyphenoxy)-N-[3-[4-(2-pyrimidinyl)-1-piperazinyl]propyl]butanamide IUPAC Name: 4-(4-methoxyphenoxy)-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]butanamide Traditional Name: 4-(4-methoxyphenoxy)-N-[3-[4-(2-pyrimidyl)piperazino]propyl]butyramide Formula: C22H31N5O3 MolecularWeight: 413.51324

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)OCCCC(=O)NCCCN2CCN(CC2)C3=NC=CC=N3

Isomeric SMILES

COC1=CC=C(C=C1)OCCCC(=O)NCCCN2CCN(CC2)C3=NC=CC=N3

InChI

InChI=1S/C22H31N5O3/c1-29-19-6-8-20(9-7-19)30-18-2-5-21(28)23-12-4-13-26-14-16-27(17-15-26)22-24-10-3-11-25-22/h3,6-11H,2,4-5,12-18H2,1H3,(H,23,28)