2-[1-[4-(5-methoxypyrimidin-4-yl)piperazin-1-yl]-2-propyl-indol-5-yl]oxyethanenitrile

Systemtic Name: 2-[1-[4-(5-methoxypyrimidin-4-yl)piperazin-1-yl]-2-propyl-indol-5-yl]oxyethanenitrile Openeye Name: 2-[1-[4-(5-methoxypyrimidin-4-yl)piperazin-1-yl]-2-propyl-indol-5-yl]oxyacetonitrile CAS Name: 2-[[1-[4-(5-methoxy-4-pyrimidinyl)-1-piperazinyl]-2-propyl-5-indolyl]oxy]acetonitrile IUPAC Name: 2-[1-[4-(5-methoxypyrimidin-4-yl)piperazin-1-yl]-2-propylindol-5-yl]oxyacetonitrile Traditional Name: 2-[1-[4-(5-methoxypyrimidin-4-yl)piperazino]-2-propyl-indol-5-yl]oxyacetonitrile Formula: C22H26N6O2 MolecularWeight: 406.48084

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC2=C(N1N3CCN(CC3)C4=NC=NC=C4OC)C=CC(=C2)OCC#N

Isomeric SMILES

CCCC1=CC2=C(N1N3CCN(CC3)C4=NC=NC=C4OC)C=CC(=C2)OCC#N

InChI

InChI=1S/C22H26N6O2/c1-3-4-18-13-17-14-19(30-12-7-23)5-6-20(17)28(18)27-10-8-26(9-11-27)22-21(29-2)15-24-16-25-22/h5-6,13-16H,3-4,8-12H2,1-2H3