methyl 5-azanyl-1-[4-[4-(3-chlorophenyl)piperazin-1-yl]carbonylphenyl]pyrazole-4-carboxylate

Systemtic Name: methyl 5-azanyl-1-[4-[4-(3-chlorophenyl)piperazin-1-yl]carbonylphenyl]pyrazole-4-carboxylate Openeye Name: methyl 5-amino-1-[4-[4-(3-chlorophenyl)piperazine-1-carbonyl]phenyl]pyrazole-4-carboxylate CAS Name: 5-amino-1-[4-[[4-(3-chlorophenyl)-1-piperazinyl]-oxomethyl]phenyl]-4-pyrazolecarboxylic acid methyl ester IUPAC Name: methyl 5-amino-1-[4-[4-(3-chlorophenyl)piperazine-1-carbonyl]phenyl]pyrazole-4-carboxylate Traditional Name: 5-amino-1-[4-[4-(3-chlorophenyl)piperazine-1-carbonyl]phenyl]pyrazole-4-carboxylic acid methyl ester Formula: C22H22ClN5O3 MolecularWeight: 439.89478

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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(=CC=C4)Cl)N

Isomeric SMILES

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

InChI

InChI=1S/C22H22ClN5O3/c1-31-22(30)19-14-25-28(20(19)24)17-7-5-15(6-8-17)21(29)27-11-9-26(10-12-27)18-4-2-3-16(23)13-18/h2-8,13-14H,9-12,24H2,1H3