tert-butyl (2S)-2-[[(E)-(2-chloranyl-7-methyl-quinolin-3-yl)methylideneamino]carbamoyl]pyrrolidine-1-carboxylate

Systemtic Name: tert-butyl (2S)-2-[[(E)-(2-chloranyl-7-methyl-quinolin-3-yl)methylideneamino]carbamoyl]pyrrolidine-1-carboxylate Openeye Name: tert-butyl (2S)-2-[[(E)-(2-chloro-7-methyl-3-quinolyl)methyleneamino]carbamoyl]pyrrolidine-1-carboxylate CAS Name: (2S)-2-[[(2E)-2-[(2-chloro-7-methyl-3-quinolinyl)methylidene]hydrazinyl]-oxomethyl]-1-pyrrolidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl (2S)-2-[[(E)-(2-chloro-7-methylquinolin-3-yl)methylideneamino]carbamoyl]pyrrolidine-1-carboxylate Traditional Name: (2S)-2-[[(E)-(2-chloro-7-methyl-3-quinolyl)methyleneamino]carbamoyl]pyrrolidine-1-carboxylic acid tert-butyl ester Formula: C21H25ClN4O3 MolecularWeight: 416.9012

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=NC(=C(C=C2C=C1)C=NNC(=O)C3CCCN3C(=O)OC(C)(C)C)Cl

Isomeric SMILES

CC1=CC2=NC(=C(C=C2C=C1)/C=N/NC(=O)[C@@H]3CCCN3C(=O)OC(C)(C)C)Cl

InChI

InChI=1S/C21H25ClN4O3/c1-13-7-8-14-11-15(18(22)24-16(14)10-13)12-23-25-19(27)17-6-5-9-26(17)20(28)29-21(2,3)4/h7-8,10-12,17H,5-6,9H2,1-4H3,(H,25,27)/b23-12+/t17-/m0/s1