2-ethyl-1-[4-[3-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]phenoxy]piperidin-1-yl]butan-1-one

Systemtic Name: 2-ethyl-1-[4-[3-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]phenoxy]piperidin-1-yl]butan-1-one Openeye Name: 2-ethyl-1-[4-[3-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]phenoxy]-1-piperidyl]butan-1-one CAS Name: 2-ethyl-1-[4-[3-[[4-(2-pyrimidinyl)-1-piperazinyl]methyl]phenoxy]-1-piperidinyl]-1-butanone IUPAC Name: 2-ethyl-1-[4-[3-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]phenoxy]piperidin-1-yl]butan-1-one Traditional Name: 2-ethyl-1-[4-[3-[[4-(2-pyrimidyl)piperazino]methyl]phenoxy]piperidino]butan-1-one Formula: C26H37N5O2 MolecularWeight: 451.60428

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)C(=O)N1CCC(CC1)OC2=CC=CC(=C2)CN3CCN(CC3)C4=NC=CC=N4

Isomeric SMILES

CCC(CC)C(=O)N1CCC(CC1)OC2=CC=CC(=C2)CN3CCN(CC3)C4=NC=CC=N4

InChI

InChI=1S/C26H37N5O2/c1-3-22(4-2)25(32)30-13-9-23(10-14-30)33-24-8-5-7-21(19-24)20-29-15-17-31(18-16-29)26-27-11-6-12-28-26/h5-8,11-12,19,22-23H,3-4,9-10,13-18,20H2,1-2H3