5-cyclopropyl-1-(5-methyl-4-thiophen-2-yl-pyrimidin-2-yl)-N-[1-(phenylmethyl)piperidin-4-yl]pyrazole-4-carboxamide

Systemtic Name: 5-cyclopropyl-1-(5-methyl-4-thiophen-2-yl-pyrimidin-2-yl)-N-[1-(phenylmethyl)piperidin-4-yl]pyrazole-4-carboxamide Openeye Name: N-(1-benzyl-4-piperidyl)-5-cyclopropyl-1-[5-methyl-4-(2-thienyl)pyrimidin-2-yl]pyrazole-4-carboxamide CAS Name: 5-cyclopropyl-1-(5-methyl-4-thiophen-2-yl-2-pyrimidinyl)-N-[1-(phenylmethyl)-4-piperidinyl]-4-pyrazolecarboxamide IUPAC Name: N-(1-benzylpiperidin-4-yl)-5-cyclopropyl-1-(5-methyl-4-thiophen-2-ylpyrimidin-2-yl)pyrazole-4-carboxamide Traditional Name: N-(1-benzyl-4-piperidyl)-5-cyclopropyl-1-[5-methyl-4-(2-thienyl)pyrimidin-2-yl]pyrazole-4-carboxamide Formula: C28H30N6OS MolecularWeight: 498.6424

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CN=C(N=C1C2=CC=CS2)N3C(=C(C=N3)C(=O)NC4CCN(CC4)CC5=CC=CC=C5)C6CC6

Isomeric SMILES

CC1=CN=C(N=C1C2=CC=CS2)N3C(=C(C=N3)C(=O)NC4CCN(CC4)CC5=CC=CC=C5)C6CC6

InChI

InChI=1S/C28H30N6OS/c1-19-16-29-28(32-25(19)24-8-5-15-36-24)34-26(21-9-10-21)23(17-30-34)27(35)31-22-11-13-33(14-12-22)18-20-6-3-2-4-7-20/h2-8,15-17,21-22H,9-14,18H2,1H3,(H,31,35)