tert-butyl 4-[[1-methyl-5-[(triphenylmethyl)amino]pyrazol-4-yl]carbamoyl]piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[[1-methyl-5-[(triphenylmethyl)amino]pyrazol-4-yl]carbamoyl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-[[1-methyl-5-(tritylamino)pyrazol-4-yl]carbamoyl]piperazine-1-carboxylate CAS Name: 4-[[[1-methyl-5-[(triphenylmethyl)amino]-4-pyrazolyl]amino]-oxomethyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[[1-methyl-5-(tritylamino)pyrazol-4-yl]carbamoyl]piperazine-1-carboxylate Traditional Name: 4-[[1-methyl-5-(tritylamino)pyrazol-4-yl]carbamoyl]piperazine-1-carboxylic acid tert-butyl ester Formula: C33H38N6O3 MolecularWeight: 566.69322

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(CC1)C(=O)NC2=C(N(N=C2)C)NC(C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(CC1)C(=O)NC2=C(N(N=C2)C)NC(C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C33H38N6O3/c1-32(2,3)42-31(41)39-22-20-38(21-23-39)30(40)35-28-24-34-37(4)29(28)36-33(25-14-8-5-9-15-25,26-16-10-6-11-17-26)27-18-12-7-13-19-27/h5-19,24,36H,20-23H2,1-4H3,(H,35,40)