5-cyclopropyl-1-(5-methyl-4-thiophen-2-yl-pyrimidin-2-yl)-N-[1-(phenylmethyl)piperidin-3-yl]pyrazole-4-carboxamide

Systemtic Name: 5-cyclopropyl-1-(5-methyl-4-thiophen-2-yl-pyrimidin-2-yl)-N-[1-(phenylmethyl)piperidin-3-yl]pyrazole-4-carboxamide Openeye Name: N-(1-benzyl-3-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)-3-piperidinyl]-4-pyrazolecarboxamide IUPAC Name: N-(1-benzylpiperidin-3-yl)-5-cyclopropyl-1-(5-methyl-4-thiophen-2-ylpyrimidin-2-yl)pyrazole-4-carboxamide Traditional Name: N-(1-benzyl-3-piperidyl)-5-cyclopropyl-1-[5-methyl-4-(2-thienyl)pyrimidin-2-yl]pyrazole-4-carboxamide Formula: C28H30N6OS MolecularWeight: 498.6424

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN=C(N=C1C2=CC=CS2)N3C(=C(C=N3)C(=O)NC4CCCN(C4)CC5=CC=CC=C5)C6CC6

Isomeric SMILES

CC1=CN=C(N=C1C2=CC=CS2)N3C(=C(C=N3)C(=O)NC4CCCN(C4)CC5=CC=CC=C5)C6CC6

InChI

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