ethyl (1E)-N-[1-[(2-methyl-4-phenyl-butan-2-yl)carbamoyl]-5-oxidanylidene-3-pyrrolidin-1-yl-1,2,4-triazol-4-yl]methanimidate

Systemtic Name: ethyl (1E)-N-[1-[(2-methyl-4-phenyl-butan-2-yl)carbamoyl]-5-oxidanylidene-3-pyrrolidin-1-yl-1,2,4-triazol-4-yl]methanimidate Openeye Name: ethyl (1E)-N-[1-[(1,1-dimethyl-3-phenyl-propyl)carbamoyl]-5-oxo-3-pyrrolidin-1-yl-1,2,4-triazol-4-yl]methanimidate CAS Name: (1E)-N-[1-[[(2-methyl-4-phenylbutan-2-yl)amino]-oxomethyl]-5-oxo-3-(1-pyrrolidinyl)-1,2,4-triazol-4-yl]methanimidic acid ethyl ester IUPAC Name: ethyl (1E)-N-[1-[(2-methyl-4-phenylbutan-2-yl)carbamoyl]-5-oxo-3-pyrrolidin-1-yl-1,2,4-triazol-4-yl]methanimidate Traditional Name: (1E)-N-[1-[(1,1-dimethyl-3-phenyl-propyl)carbamoyl]-5-keto-3-pyrrolidino-1,2,4-triazol-4-yl]formimidic acid ethyl ester Formula: C21H30N6O3 MolecularWeight: 414.5013

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Descriptors Computed from Structure

Canonical SMILES:

CCOC=NN1C(=NN(C1=O)C(=O)NC(C)(C)CCC2=CC=CC=C2)N3CCCC3

Isomeric SMILES

CCO/C=N/N1C(=NN(C1=O)C(=O)NC(C)(C)CCC2=CC=CC=C2)N3CCCC3

InChI

InChI=1S/C21H30N6O3/c1-4-30-16-22-26-18(25-14-8-9-15-25)24-27(20(26)29)19(28)23-21(2,3)13-12-17-10-6-5-7-11-17/h5-7,10-11,16H,4,8-9,12-15H2,1-3H3,(H,23,28)/b22-16+