4-[5-bromanyl-2-[[1-(3-cyanophenyl)piperidin-4-yl]amino]pyrimidin-4-yl]oxy-3,5-dimethyl-benzenecarbonitrile

Systemtic Name: 4-[5-bromanyl-2-[[1-(3-cyanophenyl)piperidin-4-yl]amino]pyrimidin-4-yl]oxy-3,5-dimethyl-benzenecarbonitrile Openeye Name: 4-[5-bromo-2-[[1-(3-cyanophenyl)-4-piperidyl]amino]pyrimidin-4-yl]oxy-3,5-dimethyl-benzonitrile CAS Name: 4-[[5-bromo-2-[[1-(3-cyanophenyl)-4-piperidinyl]amino]-4-pyrimidinyl]oxy]-3,5-dimethylbenzonitrile IUPAC Name: 4-[5-bromo-2-[[1-(3-cyanophenyl)piperidin-4-yl]amino]pyrimidin-4-yl]oxy-3,5-dimethylbenzonitrile Traditional Name: 4-[5-bromo-2-[[1-(3-cyanophenyl)-4-piperidyl]amino]pyrimidin-4-yl]oxy-3,5-dimethyl-benzonitrile Formula: C25H23BrN6O MolecularWeight: 503.39372

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1OC2=NC(=NC=C2Br)NC3CCN(CC3)C4=CC=CC(=C4)C#N)C)C#N

Isomeric SMILES

CC1=CC(=CC(=C1OC2=NC(=NC=C2Br)NC3CCN(CC3)C4=CC=CC(=C4)C#N)C)C#N

InChI

InChI=1S/C25H23BrN6O/c1-16-10-19(14-28)11-17(2)23(16)33-24-22(26)15-29-25(31-24)30-20-6-8-32(9-7-20)21-5-3-4-18(12-21)13-27/h3-5,10-12,15,20H,6-9H2,1-2H3,(H,29,30,31)