(1-methylbenzimidazol-5-yl) N-(2-cyanoethyl)-N-[3-(4-cyanophenyl)-1-pyridin-3-yl-propyl]carbamate

Systemtic Name: (1-methylbenzimidazol-5-yl) N-(2-cyanoethyl)-N-[3-(4-cyanophenyl)-1-pyridin-3-yl-propyl]carbamate Openeye Name: (1-methylbenzimidazol-5-yl) N-(2-cyanoethyl)-N-[3-(4-cyanophenyl)-1-(3-pyridyl)propyl]carbamate CAS Name: N-(2-cyanoethyl)-N-[3-(4-cyanophenyl)-1-(3-pyridinyl)propyl]carbamic acid (1-methyl-5-benzimidazolyl) ester IUPAC Name: (1-methylbenzimidazol-5-yl) N-(2-cyanoethyl)-N-[3-(4-cyanophenyl)-1-pyridin-3-ylpropyl]carbamate Traditional Name: N-(2-cyanoethyl)-N-[3-(4-cyanophenyl)-1-(3-pyridyl)propyl]carbamic acid (1-methylbenzimidazol-5-yl) ester Formula: C27H24N6O2 MolecularWeight: 464.51846

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NC2=C1C=CC(=C2)OC(=O)N(CCC#N)C(CCC3=CC=C(C=C3)C#N)C4=CN=CC=C4

Isomeric SMILES

CN1C=NC2=C1C=CC(=C2)OC(=O)N(CCC#N)C(CCC3=CC=C(C=C3)C#N)C4=CN=CC=C4

InChI

InChI=1S/C27H24N6O2/c1-32-19-31-24-16-23(10-12-26(24)32)35-27(34)33(15-3-13-28)25(22-4-2-14-30-18-22)11-9-20-5-7-21(17-29)8-6-20/h2,4-8,10,12,14,16,18-19,25H,3,9,11,15H2,1H3