4-(5-methyl-2-pyridin-2-yl-1H-indol-3-yl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)butan-1-one

Systemtic Name: 4-(5-methyl-2-pyridin-2-yl-1H-indol-3-yl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)butan-1-one Openeye Name: 4-[5-methyl-2-(2-pyridyl)-1H-indol-3-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)butan-1-one CAS Name: 4-[5-methyl-2-(2-pyridinyl)-1H-indol-3-yl]-1-[4-(2-pyrimidinyl)-1-piperazinyl]-1-butanone IUPAC Name: 4-(5-methyl-2-pyridin-2-yl-1H-indol-3-yl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)butan-1-one Traditional Name: 4-[5-methyl-2-(2-pyridyl)-1H-indol-3-yl]-1-[4-(2-pyrimidyl)piperazino]butan-1-one Formula: C26H28N6O MolecularWeight: 440.54012

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)NC(=C2CCCC(=O)N3CCN(CC3)C4=NC=CC=N4)C5=CC=CC=N5

Isomeric SMILES

CC1=CC2=C(C=C1)NC(=C2CCCC(=O)N3CCN(CC3)C4=NC=CC=N4)C5=CC=CC=N5

InChI

InChI=1S/C26H28N6O/c1-19-9-10-22-21(18-19)20(25(30-22)23-7-2-3-11-27-23)6-4-8-24(33)31-14-16-32(17-15-31)26-28-12-5-13-29-26/h2-3,5,7,9-13,18,30H,4,6,8,14-17H2,1H3