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

Systemtic Name: (1-methylbenzimidazol-5-yl) N-(2-cyanoethyl)-N-[3-(4-cyanophenyl)-1-quinolin-3-yl-propyl]carbamate Openeye Name: (1-methylbenzimidazol-5-yl) N-(2-cyanoethyl)-N-[3-(4-cyanophenyl)-1-(3-quinolyl)propyl]carbamate CAS Name: N-(2-cyanoethyl)-N-[3-(4-cyanophenyl)-1-(3-quinolinyl)propyl]carbamic acid (1-methyl-5-benzimidazolyl) ester IUPAC Name: (1-methylbenzimidazol-5-yl) N-(2-cyanoethyl)-N-[3-(4-cyanophenyl)-1-quinolin-3-ylpropyl]carbamate Traditional Name: N-(2-cyanoethyl)-N-[3-(4-cyanophenyl)-1-(3-quinolyl)propyl]carbamic acid (1-methylbenzimidazol-5-yl) ester Formula: C31H26N6O2 MolecularWeight: 514.57714

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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=CC5=CC=CC=C5N=C4

Isomeric SMILES

CN1C=NC2=C1C=CC(=C2)OC(=O)N(CCC#N)C(CCC3=CC=C(C=C3)C#N)C4=CC5=CC=CC=C5N=C4

InChI

InChI=1S/C31H26N6O2/c1-36-21-35-28-18-26(12-14-30(28)36)39-31(38)37(16-4-15-32)29(13-11-22-7-9-23(19-33)10-8-22)25-17-24-5-2-3-6-27(24)34-20-25/h2-3,5-10,12,14,17-18,20-21,29H,4,11,13,16H2,1H3