4-[[3-[1-(2,1,3-benzoxadiazol-5-ylcarbonyl)pyrrolidin-3-yl]indol-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 4-[[3-[1-(2,1,3-benzoxadiazol-5-ylcarbonyl)pyrrolidin-3-yl]indol-1-yl]methyl]benzenecarbonitrile Openeye Name: 4-[[3-[1-(2,1,3-benzoxadiazole-5-carbonyl)pyrrolidin-3-yl]indol-1-yl]methyl]benzonitrile CAS Name: 4-[[3-[1-[2,1,3-benzoxadiazol-5-yl(oxo)methyl]-3-pyrrolidinyl]-1-indolyl]methyl]benzonitrile IUPAC Name: 4-[[3-[1-(2,1,3-benzoxadiazole-5-carbonyl)pyrrolidin-3-yl]indol-1-yl]methyl]benzonitrile Traditional Name: 4-[[3-[1-(benzofurazan-5-carbonyl)pyrrolidin-3-yl]indol-1-yl]methyl]benzonitrile Formula: C27H21N5O2 MolecularWeight: 447.48794

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC1C2=CN(C3=CC=CC=C32)CC4=CC=C(C=C4)C#N)C(=O)C5=CC6=NON=C6C=C5

Isomeric SMILES

C1CN(CC1C2=CN(C3=CC=CC=C32)CC4=CC=C(C=C4)C#N)C(=O)C5=CC6=NON=C6C=C5

InChI

InChI=1S/C27H21N5O2/c28-14-18-5-7-19(8-6-18)15-32-17-23(22-3-1-2-4-26(22)32)21-11-12-31(16-21)27(33)20-9-10-24-25(13-20)30-34-29-24/h1-10,13,17,21H,11-12,15-16H2