tert-butyl 4-[7-[(3-azanylpyridin-2-yl)amino]-2-iodanyl-naphthalen-1-yl]piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[7-[(3-azanylpyridin-2-yl)amino]-2-iodanyl-naphthalen-1-yl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-[7-[(3-amino-2-pyridyl)amino]-2-iodo-1-naphthyl]piperazine-1-carboxylate CAS Name: 4-[7-[(3-amino-2-pyridinyl)amino]-2-iodo-1-naphthalenyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[7-[(3-aminopyridin-2-yl)amino]-2-iodonaphthalen-1-yl]piperazine-1-carboxylate Traditional Name: 4-[7-[(3-amino-2-pyridyl)amino]-2-iodo-1-naphthyl]piperazine-1-carboxylic acid tert-butyl ester Formula: C24H28IN5O2 MolecularWeight: 545.41589

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(CC1)C2=C(C=CC3=C2C=C(C=C3)NC4=C(C=CC=N4)N)I

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(CC1)C2=C(C=CC3=C2C=C(C=C3)NC4=C(C=CC=N4)N)I

InChI

InChI=1S/C24H28IN5O2/c1-24(2,3)32-23(31)30-13-11-29(12-14-30)21-18-15-17(8-6-16(18)7-9-19(21)25)28-22-20(26)5-4-10-27-22/h4-10,15H,11-14,26H2,1-3H3,(H,27,28)