2-[4-[[6-[(2,2-dicyano-1-pyrrolidin-1-yl-ethenyl)amino]-4-methyl-2-propyl-benzimidazol-1-yl]methyl]phenyl]benzoate

Systemtic Name: 2-[4-[[6-[(2,2-dicyano-1-pyrrolidin-1-yl-ethenyl)amino]-4-methyl-2-propyl-benzimidazol-1-yl]methyl]phenyl]benzoate Openeye Name: 2-[4-[[6-[(2,2-dicyano-1-pyrrolidin-1-yl-vinyl)amino]-4-methyl-2-propyl-benzimidazol-1-yl]methyl]phenyl]benzoate CAS Name: 2-[4-[[6-[[2,2-dicyano-1-(1-pyrrolidinyl)ethenyl]amino]-4-methyl-2-propyl-1-benzimidazolyl]methyl]phenyl]benzoate IUPAC Name: 2-[4-[[6-[(2,2-dicyano-1-pyrrolidin-1-ylethenyl)amino]-4-methyl-2-propylbenzimidazol-1-yl]methyl]phenyl]benzoate Traditional Name: 2-[4-[[6-[(2,2-dicyano-1-pyrrolidino-vinyl)amino]-4-methyl-2-propyl-benzimidazol-1-yl]methyl]phenyl]benzoate Formula: C33H31N6O2- MolecularWeight: 543.63824

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC2=C(N1CC3=CC=C(C=C3)C4=CC=CC=C4C(=O)[O-])C=C(C=C2C)NC(=C(C#N)C#N)N5CCCC5

Isomeric SMILES

CCCC1=NC2=C(N1CC3=CC=C(C=C3)C4=CC=CC=C4C(=O)[O-])C=C(C=C2C)NC(=C(C#N)C#N)N5CCCC5

InChI

InChI=1S/C33H32N6O2/c1-3-8-30-37-31-22(2)17-26(36-32(25(19-34)20-35)38-15-6-7-16-38)18-29(31)39(30)21-23-11-13-24(14-12-23)27-9-4-5-10-28(27)33(40)41/h4-5,9-14,17-18,36H,3,6-8,15-16,21H2,1-2H3,(H,40,41)/p-1