ethyl 5-azanyl-1-[4-[4-(5-chloranyl-2-methyl-phenyl)piperazin-1-yl]carbonylphenyl]pyrazole-4-carboxylate

Systemtic Name: ethyl 5-azanyl-1-[4-[4-(5-chloranyl-2-methyl-phenyl)piperazin-1-yl]carbonylphenyl]pyrazole-4-carboxylate Openeye Name: ethyl 5-amino-1-[4-[4-(5-chloro-2-methyl-phenyl)piperazine-1-carbonyl]phenyl]pyrazole-4-carboxylate CAS Name: 5-amino-1-[4-[[4-(5-chloro-2-methylphenyl)-1-piperazinyl]-oxomethyl]phenyl]-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-amino-1-[4-[4-(5-chloro-2-methylphenyl)piperazine-1-carbonyl]phenyl]pyrazole-4-carboxylate Traditional Name: 5-amino-1-[4-[4-(5-chloro-2-methyl-phenyl)piperazine-1-carbonyl]phenyl]pyrazole-4-carboxylic acid ethyl ester Formula: C24H26ClN5O3 MolecularWeight: 467.94794

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

Isomeric SMILES

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

InChI

InChI=1S/C24H26ClN5O3/c1-3-33-24(32)20-15-27-30(22(20)26)19-8-5-17(6-9-19)23(31)29-12-10-28(11-13-29)21-14-18(25)7-4-16(21)2/h4-9,14-15H,3,10-13,26H2,1-2H3