methyl 3-[3,5-dimethyl-1-[4-(4-phenylpiperazin-1-yl)carbonylphenyl]pyrazol-4-yl]propanoate

Systemtic Name: methyl 3-[3,5-dimethyl-1-[4-(4-phenylpiperazin-1-yl)carbonylphenyl]pyrazol-4-yl]propanoate Openeye Name: methyl 3-[3,5-dimethyl-1-[4-(4-phenylpiperazine-1-carbonyl)phenyl]pyrazol-4-yl]propanoate CAS Name: 3-[3,5-dimethyl-1-[4-[oxo-(4-phenyl-1-piperazinyl)methyl]phenyl]-4-pyrazolyl]propanoic acid methyl ester IUPAC Name: methyl 3-[3,5-dimethyl-1-[4-(4-phenylpiperazine-1-carbonyl)phenyl]pyrazol-4-yl]propanoate Traditional Name: 3-[3,5-dimethyl-1-[4-(4-phenylpiperazine-1-carbonyl)phenyl]pyrazol-4-yl]propionic acid methyl ester Formula: C26H30N4O3 MolecularWeight: 446.5414

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=C(C=C2)C(=O)N3CCN(CC3)C4=CC=CC=C4)C)CCC(=O)OC

Isomeric SMILES

CC1=C(C(=NN1C2=CC=C(C=C2)C(=O)N3CCN(CC3)C4=CC=CC=C4)C)CCC(=O)OC

InChI

InChI=1S/C26H30N4O3/c1-19-24(13-14-25(31)33-3)20(2)30(27-19)23-11-9-21(10-12-23)26(32)29-17-15-28(16-18-29)22-7-5-4-6-8-22/h4-12H,13-18H2,1-3H3