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

Systemtic Name: 4-[2-[[1-(3-cyanophenyl)piperidin-4-yl]amino]pyrimidin-4-yl]oxy-3,5-dimethyl-benzenecarbonitrile Openeye Name: 4-[2-[[1-(3-cyanophenyl)-4-piperidyl]amino]pyrimidin-4-yl]oxy-3,5-dimethyl-benzonitrile CAS Name: 4-[[2-[[1-(3-cyanophenyl)-4-piperidinyl]amino]-4-pyrimidinyl]oxy]-3,5-dimethylbenzonitrile IUPAC Name: 4-[2-[[1-(3-cyanophenyl)piperidin-4-yl]amino]pyrimidin-4-yl]oxy-3,5-dimethylbenzonitrile Traditional Name: 4-[2-[[1-(3-cyanophenyl)-4-piperidyl]amino]pyrimidin-4-yl]oxy-3,5-dimethyl-benzonitrile Formula: C25H24N6O MolecularWeight: 424.49766

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1OC2=NC(=NC=C2)NC3CCN(CC3)C4=CC=CC(=C4)C#N)C)C#N

Isomeric SMILES

CC1=CC(=CC(=C1OC2=NC(=NC=C2)NC3CCN(CC3)C4=CC=CC(=C4)C#N)C)C#N

InChI

InChI=1S/C25H24N6O/c1-17-12-20(16-27)13-18(2)24(17)32-23-6-9-28-25(30-23)29-21-7-10-31(11-8-21)22-5-3-4-19(14-22)15-26/h3-6,9,12-14,21H,7-8,10-11H2,1-2H3,(H,28,29,30)