ethyl 5-azanyl-1-[4-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylcarbonyl)phenyl]pyrazole-4-carboxylate

Systemtic Name: ethyl 5-azanyl-1-[4-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylcarbonyl)phenyl]pyrazole-4-carboxylate Openeye Name: ethyl 5-amino-1-[4-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)phenyl]pyrazole-4-carboxylate CAS Name: 5-amino-1-[4-[1,4-dioxa-8-azaspiro[4.5]decan-8-yl(oxo)methyl]phenyl]-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-amino-1-[4-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)phenyl]pyrazole-4-carboxylate Traditional Name: 5-amino-1-[4-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)phenyl]pyrazole-4-carboxylic acid ethyl ester Formula: C20H24N4O5 MolecularWeight: 400.42836

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(N=C1)C2=CC=C(C=C2)C(=O)N3CCC4(CC3)OCCO4)N

Isomeric SMILES

CCOC(=O)C1=C(N(N=C1)C2=CC=C(C=C2)C(=O)N3CCC4(CC3)OCCO4)N

InChI

InChI=1S/C20H24N4O5/c1-2-27-19(26)16-13-22-24(17(16)21)15-5-3-14(4-6-15)18(25)23-9-7-20(8-10-23)28-11-12-29-20/h3-6,13H,2,7-12,21H2,1H3