tert-butyl 4-[3-[[4-(3,5-dimethylphenyl)piperazin-1-yl]carbonylamino]-5,6-dimethyl-pyridin-2-yl]piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[3-[[4-(3,5-dimethylphenyl)piperazin-1-yl]carbonylamino]-5,6-dimethyl-pyridin-2-yl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-[3-[[4-(3,5-dimethylphenyl)piperazine-1-carbonyl]amino]-5,6-dimethyl-2-pyridyl]piperazine-1-carboxylate CAS Name: 4-[3-[[[4-(3,5-dimethylphenyl)-1-piperazinyl]-oxomethyl]amino]-5,6-dimethyl-2-pyridinyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[3-[[4-(3,5-dimethylphenyl)piperazine-1-carbonyl]amino]-5,6-dimethylpyridin-2-yl]piperazine-1-carboxylate Traditional Name: 4-[3-[[4-(3,5-dimethylphenyl)piperazine-1-carbonyl]amino]-5,6-dimethyl-2-pyridyl]piperazine-1-carboxylic acid tert-butyl ester Formula: C29H42N6O3 MolecularWeight: 522.68218

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)N2CCN(CC2)C(=O)NC3=C(N=C(C(=C3)C)C)N4CCN(CC4)C(=O)OC(C)(C)C)C

Isomeric SMILES

CC1=CC(=CC(=C1)N2CCN(CC2)C(=O)NC3=C(N=C(C(=C3)C)C)N4CCN(CC4)C(=O)OC(C)(C)C)C

InChI

InChI=1S/C29H42N6O3/c1-20-16-21(2)18-24(17-20)32-8-12-34(13-9-32)27(36)31-25-19-22(3)23(4)30-26(25)33-10-14-35(15-11-33)28(37)38-29(5,6)7/h16-19H,8-15H2,1-7H3,(H,31,36)