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

Systemtic Name: ethyl 4-[[3-(azepan-1-ylcarbonyl)-1-ethyl-4,5,6,7-tetrahydroindazol-5-yl]amino]piperidine-1-carboxylate Openeye Name: ethyl 4-[[3-(azepane-1-carbonyl)-1-ethyl-4,5,6,7-tetrahydroindazol-5-yl]amino]piperidine-1-carboxylate CAS Name: 4-[[3-[1-azepanyl(oxo)methyl]-1-ethyl-4,5,6,7-tetrahydroindazol-5-yl]amino]-1-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[[3-(azepane-1-carbonyl)-1-ethyl-4,5,6,7-tetrahydroindazol-5-yl]amino]piperidine-1-carboxylate Traditional Name: 4-[[3-(azepane-1-carbonyl)-1-ethyl-4,5,6,7-tetrahydroindazol-5-yl]amino]piperidine-1-carboxylic acid ethyl ester Formula: C24H39N5O3 MolecularWeight: 445.59816

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(CC(CC2)NC3CCN(CC3)C(=O)OCC)C(=N1)C(=O)N4CCCCCC4

Isomeric SMILES

CCN1C2=C(CC(CC2)NC3CCN(CC3)C(=O)OCC)C(=N1)C(=O)N4CCCCCC4

InChI

InChI=1S/C24H39N5O3/c1-3-29-21-10-9-19(25-18-11-15-28(16-12-18)24(31)32-4-2)17-20(21)22(26-29)23(30)27-13-7-5-6-8-14-27/h18-19,25H,3-17H2,1-2H3