ethyl 5-azanyl-1-[4-(4-propylpiperazin-1-yl)carbonylphenyl]pyrazole-4-carboxylate

Systemtic Name: ethyl 5-azanyl-1-[4-(4-propylpiperazin-1-yl)carbonylphenyl]pyrazole-4-carboxylate Openeye Name: ethyl 5-amino-1-[4-(4-propylpiperazine-1-carbonyl)phenyl]pyrazole-4-carboxylate CAS Name: 5-amino-1-[4-[oxo-(4-propyl-1-piperazinyl)methyl]phenyl]-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-amino-1-[4-(4-propylpiperazine-1-carbonyl)phenyl]pyrazole-4-carboxylate Traditional Name: 5-amino-1-[4-(4-propylpiperazine-1-carbonyl)phenyl]pyrazole-4-carboxylic acid ethyl ester Formula: C20H27N5O3 MolecularWeight: 385.46008

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1CCN(CC1)C(=O)C2=CC=C(C=C2)N3C(=C(C=N3)C(=O)OCC)N

Isomeric SMILES

CCCN1CCN(CC1)C(=O)C2=CC=C(C=C2)N3C(=C(C=N3)C(=O)OCC)N

InChI

InChI=1S/C20H27N5O3/c1-3-9-23-10-12-24(13-11-23)19(26)15-5-7-16(8-6-15)25-18(21)17(14-22-25)20(27)28-4-2/h5-8,14H,3-4,9-13,21H2,1-2H3