1-[4-(6-imidazol-1-yl-2-methyl-pyrimidin-4-yl)piperazin-1-yl]-4-phenyl-butan-1-one

Systemtic Name: 1-[4-(6-imidazol-1-yl-2-methyl-pyrimidin-4-yl)piperazin-1-yl]-4-phenyl-butan-1-one Openeye Name: 1-[4-(6-imidazol-1-yl-2-methyl-pyrimidin-4-yl)piperazin-1-yl]-4-phenyl-butan-1-one CAS Name: 1-[4-[6-(1-imidazolyl)-2-methyl-4-pyrimidinyl]-1-piperazinyl]-4-phenyl-1-butanone IUPAC Name: 1-[4-(6-imidazol-1-yl-2-methylpyrimidin-4-yl)piperazin-1-yl]-4-phenylbutan-1-one Traditional Name: 1-[4-(6-imidazol-1-yl-2-methyl-pyrimidin-4-yl)piperazino]-4-phenyl-butan-1-one Formula: C22H26N6O MolecularWeight: 390.48144

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CC(=N1)N2CCN(CC2)C(=O)CCCC3=CC=CC=C3)N4C=CN=C4

Isomeric SMILES

CC1=NC(=CC(=N1)N2CCN(CC2)C(=O)CCCC3=CC=CC=C3)N4C=CN=C4

InChI

InChI=1S/C22H26N6O/c1-18-24-20(16-21(25-18)28-11-10-23-17-28)26-12-14-27(15-13-26)22(29)9-5-8-19-6-3-2-4-7-19/h2-4,6-7,10-11,16-17H,5,8-9,12-15H2,1H3