ethyl N-[2-[2-(azanyl-cyano-phenyl-methyl)-1-methyl-benzimidazol-5-yl]-1-oxidanylidene-1-pyrrolidin-1-yl-propan-2-yl]-N-methyl-carbamate

Systemtic Name: ethyl N-[2-[2-(azanyl-cyano-phenyl-methyl)-1-methyl-benzimidazol-5-yl]-1-oxidanylidene-1-pyrrolidin-1-yl-propan-2-yl]-N-methyl-carbamate Openeye Name: ethyl N-[1-[2-(amino-cyano-phenyl-methyl)-1-methyl-benzimidazol-5-yl]-1-methyl-2-oxo-2-pyrrolidin-1-yl-ethyl]-N-methyl-carbamate CAS Name: N-[2-[2-(amino-cyano-phenylmethyl)-1-methyl-5-benzimidazolyl]-1-oxo-1-(1-pyrrolidinyl)propan-2-yl]-N-methylcarbamic acid ethyl ester IUPAC Name: ethyl N-[2-[2-(amino-cyano-phenylmethyl)-1-methylbenzimidazol-5-yl]-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]-N-methylcarbamate Traditional Name: N-[1-[2-(amino-cyano-phenyl-methyl)-1-methyl-benzimidazol-5-yl]-2-keto-1-methyl-2-pyrrolidino-ethyl]-N-methyl-carbamic acid ethyl ester Formula: C27H32N6O3 MolecularWeight: 488.58138

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N(C)C(C)(C1=CC2=C(C=C1)N(C(=N2)C(C#N)(C3=CC=CC=C3)N)C)C(=O)N4CCCC4

Isomeric SMILES

CCOC(=O)N(C)C(C)(C1=CC2=C(C=C1)N(C(=N2)C(C#N)(C3=CC=CC=C3)N)C)C(=O)N4CCCC4

InChI

InChI=1S/C27H32N6O3/c1-5-36-25(35)32(4)26(2,24(34)33-15-9-10-16-33)20-13-14-22-21(17-20)30-23(31(22)3)27(29,18-28)19-11-7-6-8-12-19/h6-8,11-14,17H,5,9-10,15-16,29H2,1-4H3