4-(5-chloranyl-2-quinolin-2-yl-1H-indol-3-yl)-N,N-bis(cyanomethyl)butanamide

Systemtic Name: 4-(5-chloranyl-2-quinolin-2-yl-1H-indol-3-yl)-N,N-bis(cyanomethyl)butanamide Openeye Name: 4-[5-chloro-2-(2-quinolyl)-1H-indol-3-yl]-N,N-bis(cyanomethyl)butanamide CAS Name: 4-[5-chloro-2-(2-quinolinyl)-1H-indol-3-yl]-N,N-bis(cyanomethyl)butanamide IUPAC Name: 4-(5-chloro-2-quinolin-2-yl-1H-indol-3-yl)-N,N-bis(cyanomethyl)butanamide Traditional Name: 4-[5-chloro-2-(2-quinolyl)-1H-indol-3-yl]-N,N-bis(cyanomethyl)butyramide Formula: C25H20ClN5O MolecularWeight: 441.9122

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC(=N2)C3=C(C4=C(N3)C=CC(=C4)Cl)CCCC(=O)N(CC#N)CC#N

Isomeric SMILES

C1=CC=C2C(=C1)C=CC(=N2)C3=C(C4=C(N3)C=CC(=C4)Cl)CCCC(=O)N(CC#N)CC#N

InChI

InChI=1S/C25H20ClN5O/c26-18-9-11-22-20(16-18)19(5-3-7-24(32)31(14-12-27)15-13-28)25(30-22)23-10-8-17-4-1-2-6-21(17)29-23/h1-2,4,6,8-11,16,30H,3,5,7,14-15H2