methyl 3-[[3-(azepan-1-ylcarbonyl)-1-ethyl-4,5,6,7-tetrahydroindazol-5-yl]amino]propanoate

Systemtic Name: methyl 3-[[3-(azepan-1-ylcarbonyl)-1-ethyl-4,5,6,7-tetrahydroindazol-5-yl]amino]propanoate Openeye Name: methyl 3-[[3-(azepane-1-carbonyl)-1-ethyl-4,5,6,7-tetrahydroindazol-5-yl]amino]propanoate CAS Name: 3-[[3-[1-azepanyl(oxo)methyl]-1-ethyl-4,5,6,7-tetrahydroindazol-5-yl]amino]propanoic acid methyl ester IUPAC Name: methyl 3-[[3-(azepane-1-carbonyl)-1-ethyl-4,5,6,7-tetrahydroindazol-5-yl]amino]propanoate Traditional Name: 3-[[3-(azepane-1-carbonyl)-1-ethyl-4,5,6,7-tetrahydroindazol-5-yl]amino]propionic acid methyl ester Formula: C20H32N4O3 MolecularWeight: 376.49308

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(CC(CC2)NCCC(=O)OC)C(=N1)C(=O)N3CCCCCC3

Isomeric SMILES

CCN1C2=C(CC(CC2)NCCC(=O)OC)C(=N1)C(=O)N3CCCCCC3

InChI

InChI=1S/C20H32N4O3/c1-3-24-17-9-8-15(21-11-10-18(25)27-2)14-16(17)19(22-24)20(26)23-12-6-4-5-7-13-23/h15,21H,3-14H2,1-2H3