methyl 4-[[[3-(1,3-benzodioxol-5-yl)-1-phenyl-pyrazol-4-yl]methylamino]methyl]benzoate

Systemtic Name: methyl 4-[[[3-(1,3-benzodioxol-5-yl)-1-phenyl-pyrazol-4-yl]methylamino]methyl]benzoate Openeye Name: methyl 4-[[[3-(1,3-benzodioxol-5-yl)-1-phenyl-pyrazol-4-yl]methylamino]methyl]benzoate CAS Name: 4-[[[3-(1,3-benzodioxol-5-yl)-1-phenyl-4-pyrazolyl]methylamino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[[3-(1,3-benzodioxol-5-yl)-1-phenylpyrazol-4-yl]methylamino]methyl]benzoate Traditional Name: 4-[[[3-(1,3-benzodioxol-5-yl)-1-phenyl-pyrazol-4-yl]methylamino]methyl]benzoic acid methyl ester Formula: C26H23N3O4 MolecularWeight: 441.47852

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)CNCC2=CN(N=C2C3=CC4=C(C=C3)OCO4)C5=CC=CC=C5

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)CNCC2=CN(N=C2C3=CC4=C(C=C3)OCO4)C5=CC=CC=C5

InChI

InChI=1S/C26H23N3O4/c1-31-26(30)19-9-7-18(8-10-19)14-27-15-21-16-29(22-5-3-2-4-6-22)28-25(21)20-11-12-23-24(13-20)33-17-32-23/h2-13,16,27H,14-15,17H2,1H3