ethyl N-[4-cyano-5-[[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]amino]-1H-pyrazol-3-yl]methanimidate

Systemtic Name: ethyl N-[4-cyano-5-[[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]amino]-1H-pyrazol-3-yl]methanimidate Openeye Name: ethyl N-[5-[4-(tert-butoxycarbonylamino)anilino]-4-cyano-1H-pyrazol-3-yl]methanimidate CAS Name: N-[4-cyano-5-[4-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]anilino]-1H-pyrazol-3-yl]methanimidic acid ethyl ester IUPAC Name: ethyl N-[4-cyano-5-[4-[(2-methylpropan-2-yl)oxycarbonylamino]anilino]-1H-pyrazol-3-yl]methanimidate Traditional Name: N-[5-[4-(tert-butoxycarbonylamino)anilino]-4-cyano-1H-pyrazol-3-yl]formimidic acid ethyl ester Formula: C18H22N6O3 MolecularWeight: 370.40568

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Descriptors Computed from Structure

Canonical SMILES:

CCOC=NC1=NNC(=C1C#N)NC2=CC=C(C=C2)NC(=O)OC(C)(C)C

Isomeric SMILES

CCOC=NC1=NNC(=C1C#N)NC2=CC=C(C=C2)NC(=O)OC(C)(C)C

InChI

InChI=1S/C18H22N6O3/c1-5-26-11-20-15-14(10-19)16(24-23-15)21-12-6-8-13(9-7-12)22-17(25)27-18(2,3)4/h6-9,11H,5H2,1-4H3,(H,22,25)(H2,21,23,24)