tert-butyl 4-[2-[4-[5-azanyl-6-(pyridin-3-ylcarbamoyl)pyrazin-2-yl]oxyphenyl]ethyl]piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[2-[4-[5-azanyl-6-(pyridin-3-ylcarbamoyl)pyrazin-2-yl]oxyphenyl]ethyl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-[2-[4-[5-amino-6-(3-pyridylcarbamoyl)pyrazin-2-yl]oxyphenyl]ethyl]piperazine-1-carboxylate CAS Name: 4-[2-[4-[[5-amino-6-[oxo-(3-pyridinylamino)methyl]-2-pyrazinyl]oxy]phenyl]ethyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[2-[4-[5-amino-6-(pyridin-3-ylcarbamoyl)pyrazin-2-yl]oxyphenyl]ethyl]piperazine-1-carboxylate Traditional Name: 4-[2-[4-[5-amino-6-(3-pyridylcarbamoyl)pyrazin-2-yl]oxyphenyl]ethyl]piperazine-1-carboxylic acid tert-butyl ester Formula: C27H33N7O4 MolecularWeight: 519.59542

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(CC1)CCC2=CC=C(C=C2)OC3=CN=C(C(=N3)C(=O)NC4=CN=CC=C4)N

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(CC1)CCC2=CC=C(C=C2)OC3=CN=C(C(=N3)C(=O)NC4=CN=CC=C4)N

InChI

InChI=1S/C27H33N7O4/c1-27(2,3)38-26(36)34-15-13-33(14-16-34)12-10-19-6-8-21(9-7-19)37-22-18-30-24(28)23(32-22)25(35)31-20-5-4-11-29-17-20/h4-9,11,17-18H,10,12-16H2,1-3H3,(H2,28,30)(H,31,35)