methyl 5-[[4-(1H-indazol-3-ylcarbonyl)-1,4-diazepan-1-yl]methyl]furan-2-carboxylate

Systemtic Name: methyl 5-[[4-(1H-indazol-3-ylcarbonyl)-1,4-diazepan-1-yl]methyl]furan-2-carboxylate Openeye Name: methyl 5-[[4-(1H-indazole-3-carbonyl)-1,4-diazepan-1-yl]methyl]furan-2-carboxylate CAS Name: 5-[[4-[1H-indazol-3-yl(oxo)methyl]-1,4-diazepan-1-yl]methyl]-2-furancarboxylic acid methyl ester IUPAC Name: methyl 5-[[4-(1H-indazole-3-carbonyl)-1,4-diazepan-1-yl]methyl]furan-2-carboxylate Traditional Name: 5-[[4-(1H-indazole-3-carbonyl)-1,4-diazepan-1-yl]methyl]furan-2-carboxylic acid methyl ester Formula: C20H22N4O4 MolecularWeight: 382.41308

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(O1)CN2CCCN(CC2)C(=O)C3=NNC4=CC=CC=C43

Isomeric SMILES

COC(=O)C1=CC=C(O1)CN2CCCN(CC2)C(=O)C3=NNC4=CC=CC=C43

InChI

InChI=1S/C20H22N4O4/c1-27-20(26)17-8-7-14(28-17)13-23-9-4-10-24(12-11-23)19(25)18-15-5-2-3-6-16(15)21-22-18/h2-3,5-8H,4,9-13H2,1H3,(H,21,22)