1-[4-[4-[[4-(1H-indol-3-yl)pyrimidin-2-yl]amino]-2-methyl-phenyl]piperazin-1-yl]ethanone

Systemtic Name: 1-[4-[4-[[4-(1H-indol-3-yl)pyrimidin-2-yl]amino]-2-methyl-phenyl]piperazin-1-yl]ethanone Openeye Name: 1-[4-[4-[[4-(1H-indol-3-yl)pyrimidin-2-yl]amino]-2-methyl-phenyl]piperazin-1-yl]ethanone CAS Name: 1-[4-[4-[[4-(1H-indol-3-yl)-2-pyrimidinyl]amino]-2-methylphenyl]-1-piperazinyl]ethanone IUPAC Name: 1-[4-[4-[[4-(1H-indol-3-yl)pyrimidin-2-yl]amino]-2-methylphenyl]piperazin-1-yl]ethanone Traditional Name: 1-[4-[4-[[4-(1H-indol-3-yl)pyrimidin-2-yl]amino]-2-methyl-phenyl]piperazino]ethanone Formula: C25H26N6O MolecularWeight: 426.51354

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NC2=NC=CC(=N2)C3=CNC4=CC=CC=C43)N5CCN(CC5)C(=O)C

Isomeric SMILES

CC1=C(C=CC(=C1)NC2=NC=CC(=N2)C3=CNC4=CC=CC=C43)N5CCN(CC5)C(=O)C

InChI

InChI=1S/C25H26N6O/c1-17-15-19(7-8-24(17)31-13-11-30(12-14-31)18(2)32)28-25-26-10-9-23(29-25)21-16-27-22-6-4-3-5-20(21)22/h3-10,15-16,27H,11-14H2,1-2H3,(H,26,28,29)