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

Systemtic Name: ethyl 5-azanyl-1-[4-[4-(3-chlorophenyl)piperazin-1-yl]carbonylphenyl]pyrazole-4-carboxylate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 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 ethyl ester Formula: C23H24ClN5O3 MolecularWeight: 453.92136

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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)C4=CC(=CC=C4)Cl)N

Isomeric SMILES

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

InChI

InChI=1S/C23H24ClN5O3/c1-2-32-23(31)20-15-26-29(21(20)25)18-8-6-16(7-9-18)22(30)28-12-10-27(11-13-28)19-5-3-4-17(24)14-19/h3-9,14-15H,2,10-13,25H2,1H3