2-[1-[6-(1-methylindol-3-yl)carbonylpyrimidin-4-yl]piperidin-4-yl]-5-phenyl-1H-1,2,4-triazol-3-one

Systemtic Name: 2-[1-[6-(1-methylindol-3-yl)carbonylpyrimidin-4-yl]piperidin-4-yl]-5-phenyl-1H-1,2,4-triazol-3-one Openeye Name: 2-[1-[6-(1-methylindole-3-carbonyl)pyrimidin-4-yl]-4-piperidyl]-5-phenyl-1H-1,2,4-triazol-3-one CAS Name: 2-[1-[6-[(1-methyl-3-indolyl)-oxomethyl]-4-pyrimidinyl]-4-piperidinyl]-5-phenyl-1H-1,2,4-triazol-3-one IUPAC Name: 2-[1-[6-(1-methylindole-3-carbonyl)pyrimidin-4-yl]piperidin-4-yl]-5-phenyl-1H-1,2,4-triazol-3-one Traditional Name: 2-[1-[6-(1-methylindole-3-carbonyl)pyrimidin-4-yl]-4-piperidyl]-5-phenyl-1H-1,2,4-triazol-3-one Formula: C27H25N7O2 MolecularWeight: 479.5331

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C2=CC=CC=C21)C(=O)C3=CC(=NC=N3)N4CCC(CC4)N5C(=O)N=C(N5)C6=CC=CC=C6

Isomeric SMILES

CN1C=C(C2=CC=CC=C21)C(=O)C3=CC(=NC=N3)N4CCC(CC4)N5C(=O)N=C(N5)C6=CC=CC=C6

InChI

InChI=1S/C27H25N7O2/c1-32-16-21(20-9-5-6-10-23(20)32)25(35)22-15-24(29-17-28-22)33-13-11-19(12-14-33)34-27(36)30-26(31-34)18-7-3-2-4-8-18/h2-10,15-17,19H,11-14H2,1H3,(H,30,31,36)