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

Systemtic Name: [5-[[4-(1H-indazol-3-ylcarbonyl)-1,4-diazepan-1-yl]methyl]furan-2-yl]methyl ethanoate Openeye Name: [5-[[4-(1H-indazole-3-carbonyl)-1,4-diazepan-1-yl]methyl]-2-furyl]methyl acetate CAS Name: acetic acid [5-[[4-[1H-indazol-3-yl(oxo)methyl]-1,4-diazepan-1-yl]methyl]-2-furanyl]methyl ester IUPAC Name: [5-[[4-(1H-indazole-3-carbonyl)-1,4-diazepan-1-yl]methyl]furan-2-yl]methyl acetate Traditional Name: acetic acid [5-[[4-(1H-indazole-3-carbonyl)-1,4-diazepan-1-yl]methyl]-2-furyl]methyl ester Formula: C21H24N4O4 MolecularWeight: 396.43966

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCC1=CC=C(O1)CN2CCCN(CC2)C(=O)C3=NNC4=CC=CC=C43

Isomeric SMILES

CC(=O)OCC1=CC=C(O1)CN2CCCN(CC2)C(=O)C3=NNC4=CC=CC=C43

InChI

InChI=1S/C21H24N4O4/c1-15(26)28-14-17-8-7-16(29-17)13-24-9-4-10-25(12-11-24)21(27)20-18-5-2-3-6-19(18)22-23-20/h2-3,5-8H,4,9-14H2,1H3,(H,22,23)