methyl 4-[[(1-pyridin-2-yl-4,5,6,7-tetrahydroindazol-4-yl)amino]methyl]benzoate

Systemtic Name: methyl 4-[[(1-pyridin-2-yl-4,5,6,7-tetrahydroindazol-4-yl)amino]methyl]benzoate Openeye Name: methyl 4-[[[1-(2-pyridyl)-4,5,6,7-tetrahydroindazol-4-yl]amino]methyl]benzoate CAS Name: 4-[[[1-(2-pyridinyl)-4,5,6,7-tetrahydroindazol-4-yl]amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[(1-pyridin-2-yl-4,5,6,7-tetrahydroindazol-4-yl)amino]methyl]benzoate Traditional Name: 4-[[[1-(2-pyridyl)-4,5,6,7-tetrahydroindazol-4-yl]amino]methyl]benzoic acid methyl ester Formula: C21H22N4O2 MolecularWeight: 362.42498

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)CNC2CCCC3=C2C=NN3C4=CC=CC=N4

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)CNC2CCCC3=C2C=NN3C4=CC=CC=N4

InChI

InChI=1S/C21H22N4O2/c1-27-21(26)16-10-8-15(9-11-16)13-23-18-5-4-6-19-17(18)14-24-25(19)20-7-2-3-12-22-20/h2-3,7-12,14,18,23H,4-6,13H2,1H3