1-[4-[(5-methylpyrimidin-4-yl)amino]phenyl]-2-[1-(phenylmethyl)piperidin-4-yl]ethanone

Systemtic Name: 1-[4-[(5-methylpyrimidin-4-yl)amino]phenyl]-2-[1-(phenylmethyl)piperidin-4-yl]ethanone Openeye Name: 2-(1-benzyl-4-piperidyl)-1-[4-[(5-methylpyrimidin-4-yl)amino]phenyl]ethanone CAS Name: 1-[4-[(5-methyl-4-pyrimidinyl)amino]phenyl]-2-[1-(phenylmethyl)-4-piperidinyl]ethanone IUPAC Name: 2-(1-benzylpiperidin-4-yl)-1-[4-[(5-methylpyrimidin-4-yl)amino]phenyl]ethanone Traditional Name: 2-(1-benzyl-4-piperidyl)-1-[4-[(5-methylpyrimidin-4-yl)amino]phenyl]ethanone Formula: C25H28N4O MolecularWeight: 400.51602

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN=CN=C1NC2=CC=C(C=C2)C(=O)CC3CCN(CC3)CC4=CC=CC=C4

Isomeric SMILES

CC1=CN=CN=C1NC2=CC=C(C=C2)C(=O)CC3CCN(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C25H28N4O/c1-19-16-26-18-27-25(19)28-23-9-7-22(8-10-23)24(30)15-20-11-13-29(14-12-20)17-21-5-3-2-4-6-21/h2-10,16,18,20H,11-15,17H2,1H3,(H,26,27,28)