[4-(3,4-dihydro-1H-isoquinolin-2-yl)piperidin-1-yl]-[5-methyl-1-(4-thiophen-2-ylpyrimidin-2-yl)pyrazol-4-yl]methanone

Systemtic Name: [4-(3,4-dihydro-1H-isoquinolin-2-yl)piperidin-1-yl]-[5-methyl-1-(4-thiophen-2-ylpyrimidin-2-yl)pyrazol-4-yl]methanone Openeye Name: [4-(3,4-dihydro-1H-isoquinolin-2-yl)-1-piperidyl]-[5-methyl-1-[4-(2-thienyl)pyrimidin-2-yl]pyrazol-4-yl]methanone CAS Name: [4-(3,4-dihydro-1H-isoquinolin-2-yl)-1-piperidinyl]-[5-methyl-1-(4-thiophen-2-yl-2-pyrimidinyl)-4-pyrazolyl]methanone IUPAC Name: [4-(3,4-dihydro-1H-isoquinolin-2-yl)piperidin-1-yl]-[5-methyl-1-(4-thiophen-2-ylpyrimidin-2-yl)pyrazol-4-yl]methanone Traditional Name: [4-(3,4-dihydro-1H-isoquinolin-2-yl)piperidino]-[5-methyl-1-[4-(2-thienyl)pyrimidin-2-yl]pyrazol-4-yl]methanone Formula: C27H28N6OS MolecularWeight: 484.61582

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=NN1C2=NC=CC(=N2)C3=CC=CS3)C(=O)N4CCC(CC4)N5CCC6=CC=CC=C6C5

Isomeric SMILES

CC1=C(C=NN1C2=NC=CC(=N2)C3=CC=CS3)C(=O)N4CCC(CC4)N5CCC6=CC=CC=C6C5

InChI

InChI=1S/C27H28N6OS/c1-19-23(17-29-33(19)27-28-12-8-24(30-27)25-7-4-16-35-25)26(34)31-14-10-22(11-15-31)32-13-9-20-5-2-3-6-21(20)18-32/h2-8,12,16-17,22H,9-11,13-15,18H2,1H3