3-[3-[4-(5-methoxypyrimidin-4-yl)piperazin-1-yl]propyl]-5-phenylmethoxy-1H-indole

Systemtic Name: 3-[3-[4-(5-methoxypyrimidin-4-yl)piperazin-1-yl]propyl]-5-phenylmethoxy-1H-indole Openeye Name: 5-benzyloxy-3-[3-[4-(5-methoxypyrimidin-4-yl)piperazin-1-yl]propyl]-1H-indole CAS Name: 3-[3-[4-(5-methoxy-4-pyrimidinyl)-1-piperazinyl]propyl]-5-phenylmethoxy-1H-indole IUPAC Name: 3-[3-[4-(5-methoxypyrimidin-4-yl)piperazin-1-yl]propyl]-5-phenylmethoxy-1H-indole Traditional Name: 5-benzoxy-3-[3-[4-(5-methoxypyrimidin-4-yl)piperazino]propyl]-1H-indole Formula: C27H31N5O2 MolecularWeight: 457.56734

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CN=CN=C1N2CCN(CC2)CCCC3=CNC4=C3C=C(C=C4)OCC5=CC=CC=C5

Isomeric SMILES

COC1=CN=CN=C1N2CCN(CC2)CCCC3=CNC4=C3C=C(C=C4)OCC5=CC=CC=C5

InChI

InChI=1S/C27H31N5O2/c1-33-26-18-28-20-30-27(26)32-14-12-31(13-15-32)11-5-8-22-17-29-25-10-9-23(16-24(22)25)34-19-21-6-3-2-4-7-21/h2-4,6-7,9-10,16-18,20,29H,5,8,11-15,19H2,1H3