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

Systemtic Name: 1-[4-[(5-ethylpyrimidin-4-yl)amino]phenyl]-2-[1-(phenylmethyl)piperidin-4-yl]ethanone Openeye Name: 2-(1-benzyl-4-piperidyl)-1-[4-[(5-ethylpyrimidin-4-yl)amino]phenyl]ethanone CAS Name: 1-[4-[(5-ethyl-4-pyrimidinyl)amino]phenyl]-2-[1-(phenylmethyl)-4-piperidinyl]ethanone IUPAC Name: 2-(1-benzylpiperidin-4-yl)-1-[4-[(5-ethylpyrimidin-4-yl)amino]phenyl]ethanone Traditional Name: 2-(1-benzyl-4-piperidyl)-1-[4-[(5-ethylpyrimidin-4-yl)amino]phenyl]ethanone Formula: C26H30N4O MolecularWeight: 414.5426

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CN=CN=C1NC2=CC=C(C=C2)C(=O)CC3CCN(CC3)CC4=CC=CC=C4

Isomeric SMILES

CCC1=CN=CN=C1NC2=CC=C(C=C2)C(=O)CC3CCN(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C26H30N4O/c1-2-22-17-27-19-28-26(22)29-24-10-8-23(9-11-24)25(31)16-20-12-14-30(15-13-20)18-21-6-4-3-5-7-21/h3-11,17,19-20H,2,12-16,18H2,1H3,(H,27,28,29)