(E)-3-phenyl-1-[4-(4-pyrimidin-2-ylpiperazin-1-yl)carbonylpiperidin-1-yl]prop-2-en-1-one

Systemtic Name: (E)-3-phenyl-1-[4-(4-pyrimidin-2-ylpiperazin-1-yl)carbonylpiperidin-1-yl]prop-2-en-1-one Openeye Name: (E)-3-phenyl-1-[4-(4-pyrimidin-2-ylpiperazine-1-carbonyl)-1-piperidyl]prop-2-en-1-one CAS Name: (E)-1-[4-[oxo-[4-(2-pyrimidinyl)-1-piperazinyl]methyl]-1-piperidinyl]-3-phenyl-2-propen-1-one IUPAC Name: (E)-3-phenyl-1-[4-(4-pyrimidin-2-ylpiperazine-1-carbonyl)piperidin-1-yl]prop-2-en-1-one Traditional Name: (E)-3-phenyl-1-[4-[4-(2-pyrimidyl)piperazine-1-carbonyl]piperidino]prop-2-en-1-one Formula: C23H27N5O2 MolecularWeight: 405.49278

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)N2CCN(CC2)C3=NC=CC=N3)C(=O)C=CC4=CC=CC=C4

Isomeric SMILES

C1CN(CCC1C(=O)N2CCN(CC2)C3=NC=CC=N3)C(=O)/C=C/C4=CC=CC=C4

InChI

InChI=1S/C23H27N5O2/c29-21(8-7-19-5-2-1-3-6-19)26-13-9-20(10-14-26)22(30)27-15-17-28(18-16-27)23-24-11-4-12-25-23/h1-8,11-12,20H,9-10,13-18H2/b8-7+