2-[1-[6-(3,4-dihydro-1H-isoquinolin-2-ylcarbonyl)pyrimidin-4-yl]piperidin-4-yl]-5-phenyl-1H-1,2,4-triazol-3-one

Systemtic Name: 2-[1-[6-(3,4-dihydro-1H-isoquinolin-2-ylcarbonyl)pyrimidin-4-yl]piperidin-4-yl]-5-phenyl-1H-1,2,4-triazol-3-one Openeye Name: 2-[1-[6-(3,4-dihydro-1H-isoquinoline-2-carbonyl)pyrimidin-4-yl]-4-piperidyl]-5-phenyl-1H-1,2,4-triazol-3-one CAS Name: 2-[1-[6-[3,4-dihydro-1H-isoquinolin-2-yl(oxo)methyl]-4-pyrimidinyl]-4-piperidinyl]-5-phenyl-1H-1,2,4-triazol-3-one IUPAC Name: 2-[1-[6-(3,4-dihydro-1H-isoquinoline-2-carbonyl)pyrimidin-4-yl]piperidin-4-yl]-5-phenyl-1H-1,2,4-triazol-3-one Traditional Name: 2-[1-[6-(3,4-dihydro-1H-isoquinoline-2-carbonyl)pyrimidin-4-yl]-4-piperidyl]-5-phenyl-1H-1,2,4-triazol-3-one Formula: C27H27N7O2 MolecularWeight: 481.54898

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1N2C(=O)N=C(N2)C3=CC=CC=C3)C4=NC=NC(=C4)C(=O)N5CCC6=CC=CC=C6C5

Isomeric SMILES

C1CN(CCC1N2C(=O)N=C(N2)C3=CC=CC=C3)C4=NC=NC(=C4)C(=O)N5CCC6=CC=CC=C6C5

InChI

InChI=1S/C27H27N7O2/c35-26(33-13-10-19-6-4-5-9-21(19)17-33)23-16-24(29-18-28-23)32-14-11-22(12-15-32)34-27(36)30-25(31-34)20-7-2-1-3-8-20/h1-9,16,18,22H,10-15,17H2,(H,30,31,36)