N-[3-(2-methylpyrimidin-4-yl)phenyl]-6-(4-pyridin-2-ylpiperazin-1-yl)carbonyl-cyclohex-3-ene-1-carboxamide

Systemtic Name: N-[3-(2-methylpyrimidin-4-yl)phenyl]-6-(4-pyridin-2-ylpiperazin-1-yl)carbonyl-cyclohex-3-ene-1-carboxamide Openeye Name: N-[3-(2-methylpyrimidin-4-yl)phenyl]-6-[4-(2-pyridyl)piperazine-1-carbonyl]cyclohex-3-ene-1-carboxamide CAS Name: N-[3-(2-methyl-4-pyrimidinyl)phenyl]-6-[oxo-[4-(2-pyridinyl)-1-piperazinyl]methyl]-1-cyclohex-3-enecarboxamide IUPAC Name: N-[3-(2-methylpyrimidin-4-yl)phenyl]-6-(4-pyridin-2-ylpiperazine-1-carbonyl)cyclohex-3-ene-1-carboxamide Traditional Name: N-[3-(2-methylpyrimidin-4-yl)phenyl]-6-[4-(2-pyridyl)piperazine-1-carbonyl]cyclohex-3-ene-1-carboxamide Formula: C28H30N6O2 MolecularWeight: 482.5768

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=CC(=N1)C2=CC(=CC=C2)NC(=O)C3CC=CCC3C(=O)N4CCN(CC4)C5=CC=CC=N5

Isomeric SMILES

CC1=NC=CC(=N1)C2=CC(=CC=C2)NC(=O)C3CC=CCC3C(=O)N4CCN(CC4)C5=CC=CC=N5

InChI

InChI=1S/C28H30N6O2/c1-20-29-14-12-25(31-20)21-7-6-8-22(19-21)32-27(35)23-9-2-3-10-24(23)28(36)34-17-15-33(16-18-34)26-11-4-5-13-30-26/h2-8,11-14,19,23-24H,9-10,15-18H2,1H3,(H,32,35)