N-[[5-(3,5-dimethyl-1H-pyrazol-4-yl)-1-benzofuran-7-yl]methyl]-2-phenyl-piperidin-3-amine

Systemtic Name: N-[[5-(3,5-dimethyl-1H-pyrazol-4-yl)-1-benzofuran-7-yl]methyl]-2-phenyl-piperidin-3-amine Openeye Name: N-[[5-(3,5-dimethyl-1H-pyrazol-4-yl)benzofuran-7-yl]methyl]-2-phenyl-piperidin-3-amine CAS Name: N-[[5-(3,5-dimethyl-1H-pyrazol-4-yl)-7-benzofuranyl]methyl]-2-phenyl-3-piperidinamine IUPAC Name: N-[[5-(3,5-dimethyl-1H-pyrazol-4-yl)-1-benzofuran-7-yl]methyl]-2-phenylpiperidin-3-amine Traditional Name: [5-(3,5-dimethyl-1H-pyrazol-4-yl)benzofuran-7-yl]methyl-(2-phenyl-3-piperidyl)amine Formula: C25H28N4O MolecularWeight: 400.51602

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1)C)C2=CC(=C3C(=C2)C=CO3)CNC4CCCNC4C5=CC=CC=C5

Isomeric SMILES

CC1=C(C(=NN1)C)C2=CC(=C3C(=C2)C=CO3)CNC4CCCNC4C5=CC=CC=C5

InChI

InChI=1S/C25H28N4O/c1-16-23(17(2)29-28-16)20-13-19-10-12-30-25(19)21(14-20)15-27-22-9-6-11-26-24(22)18-7-4-3-5-8-18/h3-5,7-8,10,12-14,22,24,26-27H,6,9,11,15H2,1-2H3,(H,28,29)