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

Systemtic Name: ethyl 5-azanyl-1-[4-(4-cyclohexylpiperazin-1-yl)carbonylphenyl]pyrazole-4-carboxylate Openeye Name: ethyl 5-amino-1-[4-(4-cyclohexylpiperazine-1-carbonyl)phenyl]pyrazole-4-carboxylate CAS Name: 5-amino-1-[4-[(4-cyclohexyl-1-piperazinyl)-oxomethyl]phenyl]-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-amino-1-[4-(4-cyclohexylpiperazine-1-carbonyl)phenyl]pyrazole-4-carboxylate Traditional Name: 5-amino-1-[4-(4-cyclohexylpiperazine-1-carbonyl)phenyl]pyrazole-4-carboxylic acid ethyl ester Formula: C23H31N5O3 MolecularWeight: 425.52394

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(N=C1)C2=CC=C(C=C2)C(=O)N3CCN(CC3)C4CCCCC4)N

Isomeric SMILES

CCOC(=O)C1=C(N(N=C1)C2=CC=C(C=C2)C(=O)N3CCN(CC3)C4CCCCC4)N

InChI

InChI=1S/C23H31N5O3/c1-2-31-23(30)20-16-25-28(21(20)24)19-10-8-17(9-11-19)22(29)27-14-12-26(13-15-27)18-6-4-3-5-7-18/h8-11,16,18H,2-7,12-15,24H2,1H3