ethyl 1-[4-(5-azanyl-4-ethoxycarbonyl-pyrazol-1-yl)phenyl]carbonylpiperidine-3-carboxylate

Systemtic Name: ethyl 1-[4-(5-azanyl-4-ethoxycarbonyl-pyrazol-1-yl)phenyl]carbonylpiperidine-3-carboxylate Openeye Name: ethyl 1-[4-(5-amino-4-ethoxycarbonyl-pyrazol-1-yl)benzoyl]piperidine-3-carboxylate CAS Name: 1-[[4-(5-amino-4-ethoxycarbonyl-1-pyrazolyl)phenyl]-oxomethyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[4-(5-amino-4-ethoxycarbonylpyrazol-1-yl)benzoyl]piperidine-3-carboxylate Traditional Name: 1-[4-(5-amino-4-carbethoxy-pyrazol-1-yl)benzoyl]nipecotic acid ethyl ester Formula: C21H26N4O5 MolecularWeight: 414.45494

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)C(=O)C2=CC=C(C=C2)N3C(=C(C=N3)C(=O)OCC)N

Isomeric SMILES

CCOC(=O)C1CCCN(C1)C(=O)C2=CC=C(C=C2)N3C(=C(C=N3)C(=O)OCC)N

InChI

InChI=1S/C21H26N4O5/c1-3-29-20(27)15-6-5-11-24(13-15)19(26)14-7-9-16(10-8-14)25-18(22)17(12-23-25)21(28)30-4-2/h7-10,12,15H,3-6,11,13,22H2,1-2H3