tert-butyl 4-[4-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propylcarbamoyl]-2-phenyl-pyrazol-3-yl]piperidine-1-carboxylate

Systemtic Name: tert-butyl 4-[4-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propylcarbamoyl]-2-phenyl-pyrazol-3-yl]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[4-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propylcarbamoyl]-2-phenyl-pyrazol-3-yl]piperidine-1-carboxylate CAS Name: 4-[4-[[3-[4-(2-methoxyphenyl)-1-piperazinyl]propylamino]-oxomethyl]-2-phenyl-3-pyrazolyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[4-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propylcarbamoyl]-2-phenylpyrazol-3-yl]piperidine-1-carboxylate Traditional Name: 4-[4-[3-[4-(2-methoxyphenyl)piperazino]propylcarbamoyl]-2-phenyl-pyrazol-3-yl]piperidine-1-carboxylic acid tert-butyl ester Formula: C34H46N6O4 MolecularWeight: 602.76684

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC(CC1)C2=C(C=NN2C3=CC=CC=C3)C(=O)NCCCN4CCN(CC4)C5=CC=CC=C5OC

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC(CC1)C2=C(C=NN2C3=CC=CC=C3)C(=O)NCCCN4CCN(CC4)C5=CC=CC=C5OC

InChI

InChI=1S/C34H46N6O4/c1-34(2,3)44-33(42)39-19-15-26(16-20-39)31-28(25-36-40(31)27-11-6-5-7-12-27)32(41)35-17-10-18-37-21-23-38(24-22-37)29-13-8-9-14-30(29)43-4/h5-9,11-14,25-26H,10,15-24H2,1-4H3,(H,35,41)