methyl 5-azanyl-1-[4-[4-(4-fluorophenyl)piperazin-1-yl]carbonylphenyl]pyrazole-4-carboxylate

Systemtic Name: methyl 5-azanyl-1-[4-[4-(4-fluorophenyl)piperazin-1-yl]carbonylphenyl]pyrazole-4-carboxylate Openeye Name: methyl 5-amino-1-[4-[4-(4-fluorophenyl)piperazine-1-carbonyl]phenyl]pyrazole-4-carboxylate CAS Name: 5-amino-1-[4-[[4-(4-fluorophenyl)-1-piperazinyl]-oxomethyl]phenyl]-4-pyrazolecarboxylic acid methyl ester IUPAC Name: methyl 5-amino-1-[4-[4-(4-fluorophenyl)piperazine-1-carbonyl]phenyl]pyrazole-4-carboxylate Traditional Name: 5-amino-1-[4-[4-(4-fluorophenyl)piperazine-1-carbonyl]phenyl]pyrazole-4-carboxylic acid methyl ester Formula: C22H22FN5O3 MolecularWeight: 423.440183

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(N(N=C1)C2=CC=C(C=C2)C(=O)N3CCN(CC3)C4=CC=C(C=C4)F)N

Isomeric SMILES

COC(=O)C1=C(N(N=C1)C2=CC=C(C=C2)C(=O)N3CCN(CC3)C4=CC=C(C=C4)F)N

InChI

InChI=1S/C22H22FN5O3/c1-31-22(30)19-14-25-28(20(19)24)18-6-2-15(3-7-18)21(29)27-12-10-26(11-13-27)17-8-4-16(23)5-9-17/h2-9,14H,10-13,24H2,1H3