ethyl 1-[1-[4-(1,3-benzodioxol-5-yl)pyrimidin-2-yl]-5-methyl-pyrazol-4-yl]carbonylpiperidine-4-carboxylate

Systemtic Name: ethyl 1-[1-[4-(1,3-benzodioxol-5-yl)pyrimidin-2-yl]-5-methyl-pyrazol-4-yl]carbonylpiperidine-4-carboxylate Openeye Name: ethyl 1-[1-[4-(1,3-benzodioxol-5-yl)pyrimidin-2-yl]-5-methyl-pyrazole-4-carbonyl]piperidine-4-carboxylate CAS Name: 1-[[1-[4-(1,3-benzodioxol-5-yl)-2-pyrimidinyl]-5-methyl-4-pyrazolyl]-oxomethyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[1-[4-(1,3-benzodioxol-5-yl)pyrimidin-2-yl]-5-methylpyrazole-4-carbonyl]piperidine-4-carboxylate Traditional Name: 1-[1-[4-(1,3-benzodioxol-5-yl)pyrimidin-2-yl]-5-methyl-pyrazole-4-carbonyl]isonipecotic acid ethyl ester Formula: C24H25N5O5 MolecularWeight: 463.4858

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C(=O)C2=C(N(N=C2)C3=NC=CC(=N3)C4=CC5=C(C=C4)OCO5)C

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C(=O)C2=C(N(N=C2)C3=NC=CC(=N3)C4=CC5=C(C=C4)OCO5)C

InChI

InChI=1S/C24H25N5O5/c1-3-32-23(31)16-7-10-28(11-8-16)22(30)18-13-26-29(15(18)2)24-25-9-6-19(27-24)17-4-5-20-21(12-17)34-14-33-20/h4-6,9,12-13,16H,3,7-8,10-11,14H2,1-2H3