1-[4-[(5-ethylpyrimidin-4-yl)amino]phenyl]-3-[1-(phenylmethyl)piperidin-4-yl]propan-1-one

Systemtic Name: 1-[4-[(5-ethylpyrimidin-4-yl)amino]phenyl]-3-[1-(phenylmethyl)piperidin-4-yl]propan-1-one Openeye Name: 3-(1-benzyl-4-piperidyl)-1-[4-[(5-ethylpyrimidin-4-yl)amino]phenyl]propan-1-one CAS Name: 1-[4-[(5-ethyl-4-pyrimidinyl)amino]phenyl]-3-[1-(phenylmethyl)-4-piperidinyl]-1-propanone IUPAC Name: 3-(1-benzylpiperidin-4-yl)-1-[4-[(5-ethylpyrimidin-4-yl)amino]phenyl]propan-1-one Traditional Name: 3-(1-benzyl-4-piperidyl)-1-[4-[(5-ethylpyrimidin-4-yl)amino]phenyl]propan-1-one Formula: C27H32N4O MolecularWeight: 428.56918

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CN=CN=C1NC2=CC=C(C=C2)C(=O)CCC3CCN(CC3)CC4=CC=CC=C4

Isomeric SMILES

CCC1=CN=CN=C1NC2=CC=C(C=C2)C(=O)CCC3CCN(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C27H32N4O/c1-2-23-18-28-20-29-27(23)30-25-11-9-24(10-12-25)26(32)13-8-21-14-16-31(17-15-21)19-22-6-4-3-5-7-22/h3-7,9-12,18,20-21H,2,8,13-17,19H2,1H3,(H,28,29,30)