tert-butyl N-[3-[4-chloranyl-2-[(5-cyanopyrazin-2-yl)carbamoylamino]phenoxy]propyl]carbamate

Systemtic Name: tert-butyl N-[3-[4-chloranyl-2-[(5-cyanopyrazin-2-yl)carbamoylamino]phenoxy]propyl]carbamate Openeye Name: tert-butyl N-[3-[4-chloro-2-[(5-cyanopyrazin-2-yl)carbamoylamino]phenoxy]propyl]carbamate CAS Name: N-[3-[4-chloro-2-[[[(5-cyano-2-pyrazinyl)amino]-oxomethyl]amino]phenoxy]propyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[3-[4-chloro-2-[(5-cyanopyrazin-2-yl)carbamoylamino]phenoxy]propyl]carbamate Traditional Name: N-[3-[4-chloro-2-[(5-cyanopyrazin-2-yl)carbamoylamino]phenoxy]propyl]carbamic acid tert-butyl ester Formula: C20H23ClN6O4 MolecularWeight: 446.88742

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NCCCOC1=C(C=C(C=C1)Cl)NC(=O)NC2=NC=C(N=C2)C#N

Isomeric SMILES

CC(C)(C)OC(=O)NCCCOC1=C(C=C(C=C1)Cl)NC(=O)NC2=NC=C(N=C2)C#N

InChI

InChI=1S/C20H23ClN6O4/c1-20(2,3)31-19(29)23-7-4-8-30-16-6-5-13(21)9-15(16)26-18(28)27-17-12-24-14(10-22)11-25-17/h5-6,9,11-12H,4,7-8H2,1-3H3,(H,23,29)(H2,25,26,27,28)