methyl 3-[3,5-dimethyl-1-[4-(4-methyl-2-phenyl-piperazin-1-yl)carbonylphenyl]pyrazol-4-yl]propanoate

Systemtic Name: methyl 3-[3,5-dimethyl-1-[4-(4-methyl-2-phenyl-piperazin-1-yl)carbonylphenyl]pyrazol-4-yl]propanoate Openeye Name: methyl 3-[3,5-dimethyl-1-[4-(4-methyl-2-phenyl-piperazine-1-carbonyl)phenyl]pyrazol-4-yl]propanoate CAS Name: 3-[3,5-dimethyl-1-[4-[(4-methyl-2-phenyl-1-piperazinyl)-oxomethyl]phenyl]-4-pyrazolyl]propanoic acid methyl ester IUPAC Name: methyl 3-[3,5-dimethyl-1-[4-(4-methyl-2-phenylpiperazine-1-carbonyl)phenyl]pyrazol-4-yl]propanoate Traditional Name: 3-[3,5-dimethyl-1-[4-(4-methyl-2-phenyl-piperazine-1-carbonyl)phenyl]pyrazol-4-yl]propionic acid methyl ester Formula: C27H32N4O3 MolecularWeight: 460.56798

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=C(C=C2)C(=O)N3CCN(CC3C4=CC=CC=C4)C)C)CCC(=O)OC

Isomeric SMILES

CC1=C(C(=NN1C2=CC=C(C=C2)C(=O)N3CCN(CC3C4=CC=CC=C4)C)C)CCC(=O)OC

InChI

InChI=1S/C27H32N4O3/c1-19-24(14-15-26(32)34-4)20(2)31(28-19)23-12-10-22(11-13-23)27(33)30-17-16-29(3)18-25(30)21-8-6-5-7-9-21/h5-13,25H,14-18H2,1-4H3