tert-butyl 4-[6-[2-[(3-methoxycarbonyl-2-methyl-phenyl)amino]pyridin-4-yl]pyridin-2-yl]piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[6-[2-[(3-methoxycarbonyl-2-methyl-phenyl)amino]pyridin-4-yl]pyridin-2-yl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-[6-[2-(3-methoxycarbonyl-2-methyl-anilino)-4-pyridyl]-2-pyridyl]piperazine-1-carboxylate CAS Name: 4-[6-[2-(3-methoxycarbonyl-2-methylanilino)-4-pyridinyl]-2-pyridinyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[6-[2-(3-methoxycarbonyl-2-methylanilino)pyridin-4-yl]pyridin-2-yl]piperazine-1-carboxylate Traditional Name: 4-[6-[2-(3-carbomethoxy-2-methyl-anilino)-4-pyridyl]-2-pyridyl]piperazine-1-carboxylic acid tert-butyl ester Formula: C28H33N5O4 MolecularWeight: 503.59272

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1NC2=NC=CC(=C2)C3=NC(=CC=C3)N4CCN(CC4)C(=O)OC(C)(C)C)C(=O)OC

Isomeric SMILES

CC1=C(C=CC=C1NC2=NC=CC(=C2)C3=NC(=CC=C3)N4CCN(CC4)C(=O)OC(C)(C)C)C(=O)OC

InChI

InChI=1S/C28H33N5O4/c1-19-21(26(34)36-5)8-6-9-22(19)30-24-18-20(12-13-29-24)23-10-7-11-25(31-23)32-14-16-33(17-15-32)27(35)37-28(2,3)4/h6-13,18H,14-17H2,1-5H3,(H,29,30)