ethyl (1E)-N-[5-oxidanylidene-1-(2-phenylpropan-2-ylcarbamoyl)-3-pyrrolidin-1-yl-1,2,4-triazol-4-yl]methanimidate

Systemtic Name: ethyl (1E)-N-[5-oxidanylidene-1-(2-phenylpropan-2-ylcarbamoyl)-3-pyrrolidin-1-yl-1,2,4-triazol-4-yl]methanimidate Openeye Name: ethyl (1E)-N-[1-[(1-methyl-1-phenyl-ethyl)carbamoyl]-5-oxo-3-pyrrolidin-1-yl-1,2,4-triazol-4-yl]methanimidate CAS Name: (1E)-N-[5-oxo-1-[oxo-(2-phenylpropan-2-ylamino)methyl]-3-(1-pyrrolidinyl)-1,2,4-triazol-4-yl]methanimidic acid ethyl ester IUPAC Name: ethyl (1E)-N-[5-oxo-1-(2-phenylpropan-2-ylcarbamoyl)-3-pyrrolidin-1-yl-1,2,4-triazol-4-yl]methanimidate Traditional Name: (1E)-N-[1-(cumylcarbamoyl)-5-keto-3-pyrrolidino-1,2,4-triazol-4-yl]formimidic acid ethyl ester Formula: C19H26N6O3 MolecularWeight: 386.44814

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Descriptors Computed from Structure

Canonical SMILES:

CCOC=NN1C(=NN(C1=O)C(=O)NC(C)(C)C2=CC=CC=C2)N3CCCC3

Isomeric SMILES

CCO/C=N/N1C(=NN(C1=O)C(=O)NC(C)(C)C2=CC=CC=C2)N3CCCC3

InChI

InChI=1S/C19H26N6O3/c1-4-28-14-20-24-16(23-12-8-9-13-23)22-25(18(24)27)17(26)21-19(2,3)15-10-6-5-7-11-15/h5-7,10-11,14H,4,8-9,12-13H2,1-3H3,(H,21,26)/b20-14+