methyl 3-[[4-(1H-indazol-5-ylamino)piperidin-1-yl]methyl]benzoate

Systemtic Name: methyl 3-[[4-(1H-indazol-5-ylamino)piperidin-1-yl]methyl]benzoate Openeye Name: methyl 3-[[4-(1H-indazol-5-ylamino)-1-piperidyl]methyl]benzoate CAS Name: 3-[[4-(1H-indazol-5-ylamino)-1-piperidinyl]methyl]benzoic acid methyl ester IUPAC Name: methyl 3-[[4-(1H-indazol-5-ylamino)piperidin-1-yl]methyl]benzoate Traditional Name: 3-[[4-(1H-indazol-5-ylamino)piperidino]methyl]benzoic acid methyl ester Formula: C21H24N4O2 MolecularWeight: 364.44086

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC=C1)CN2CCC(CC2)NC3=CC4=C(C=C3)NN=C4

Isomeric SMILES

COC(=O)C1=CC(=CC=C1)CN2CCC(CC2)NC3=CC4=C(C=C3)NN=C4

InChI

InChI=1S/C21H24N4O2/c1-27-21(26)16-4-2-3-15(11-16)14-25-9-7-18(8-10-25)23-19-5-6-20-17(12-19)13-22-24-20/h2-6,11-13,18,23H,7-10,14H2,1H3,(H,22,24)