1'-[(3-methyl-1-pyrimidin-2-yl-pyrazol-4-yl)methyl]spiro[1H-2-benzofuran-3,4'-piperidine]

Systemtic Name: 1'-[(3-methyl-1-pyrimidin-2-yl-pyrazol-4-yl)methyl]spiro[1H-2-benzofuran-3,4'-piperidine] Openeye Name: 1'-[(3-methyl-1-pyrimidin-2-yl-pyrazol-4-yl)methyl]spiro[1H-isobenzofuran-3,4'-piperidine] CAS Name: 1'-[[3-methyl-1-(2-pyrimidinyl)-4-pyrazolyl]methyl]spiro[1H-isobenzofuran-3,4'-piperidine] IUPAC Name: 1'-[(3-methyl-1-pyrimidin-2-ylpyrazol-4-yl)methyl]spiro[1H-2-benzofuran-3,4'-piperidine] Traditional Name: 1'-[[3-methyl-1-(2-pyrimidyl)pyrazol-4-yl]methyl]spiro[phthalan-1,4'-piperidine] Formula: C21H23N5O MolecularWeight: 361.44022

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C=C1CN2CCC3(CC2)C4=CC=CC=C4CO3)C5=NC=CC=N5

Isomeric SMILES

CC1=NN(C=C1CN2CCC3(CC2)C4=CC=CC=C4CO3)C5=NC=CC=N5

InChI

InChI=1S/C21H23N5O/c1-16-18(14-26(24-16)20-22-9-4-10-23-20)13-25-11-7-21(8-12-25)19-6-3-2-5-17(19)15-27-21/h2-6,9-10,14H,7-8,11-13,15H2,1H3