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

Systemtic Name: ethyl 1-[4-[4-(5-chloranyl-2-methyl-phenyl)piperazin-1-yl]carbonylphenyl]-5-methyl-pyrazole-4-carboxylate Openeye Name: ethyl 1-[4-[4-(5-chloro-2-methyl-phenyl)piperazine-1-carbonyl]phenyl]-5-methyl-pyrazole-4-carboxylate CAS Name: 1-[4-[[4-(5-chloro-2-methylphenyl)-1-piperazinyl]-oxomethyl]phenyl]-5-methyl-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[4-[4-(5-chloro-2-methylphenyl)piperazine-1-carbonyl]phenyl]-5-methylpyrazole-4-carboxylate Traditional Name: 1-[4-[4-(5-chloro-2-methyl-phenyl)piperazine-1-carbonyl]phenyl]-5-methyl-pyrazole-4-carboxylic acid ethyl ester Formula: C25H27ClN4O3 MolecularWeight: 466.95988

Click to see the large picture

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)C

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)C

InChI

InChI=1S/C25H27ClN4O3/c1-4-33-25(32)22-16-27-30(18(22)3)21-9-6-19(7-10-21)24(31)29-13-11-28(12-14-29)23-15-20(26)8-5-17(23)2/h5-10,15-16H,4,11-14H2,1-3H3