3-[4-methoxy-2-(3-oxidanylpropyl)-5-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propoxy]phenoxy]butan-2-one

Systemtic Name: 3-[4-methoxy-2-(3-oxidanylpropyl)-5-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propoxy]phenoxy]butan-2-one Openeye Name: 3-[2-(3-hydroxypropyl)-4-methoxy-5-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propoxy]phenoxy]butan-2-one CAS Name: 3-[2-(3-hydroxypropyl)-4-methoxy-5-[3-[4-(2-pyrimidinyl)-1-piperazinyl]propoxy]phenoxy]-2-butanone IUPAC Name: 3-[2-(3-hydroxypropyl)-4-methoxy-5-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propoxy]phenoxy]butan-2-one Traditional Name: 3-[2-(3-hydroxypropyl)-4-methoxy-5-[3-[4-(2-pyrimidyl)piperazino]propoxy]phenoxy]butan-2-one Formula: C25H36N4O5 MolecularWeight: 472.57714

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C)OC1=CC(=C(C=C1CCCO)OC)OCCCN2CCN(CC2)C3=NC=CC=N3

Isomeric SMILES

CC(C(=O)C)OC1=CC(=C(C=C1CCCO)OC)OCCCN2CCN(CC2)C3=NC=CC=N3

InChI

InChI=1S/C25H36N4O5/c1-19(31)20(2)34-22-18-24(23(32-3)17-21(22)7-4-15-30)33-16-6-10-28-11-13-29(14-12-28)25-26-8-5-9-27-25/h5,8-9,17-18,20,30H,4,6-7,10-16H2,1-3H3