1-[4-[4-[[4-(1-methylindol-3-yl)pyrimidin-2-yl]amino]phenyl]piperazin-1-yl]ethanone

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCN(CC1)C2=CC=C(C=C2)NC3=NC=CC(=N3)C4=CN(C5=CC=CC=C54)C

Isomeric SMILES

CC(=O)N1CCN(CC1)C2=CC=C(C=C2)NC3=NC=CC(=N3)C4=CN(C5=CC=CC=C54)C

InChI

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