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

Systemtic Name: 4-(5-chloranyl-2-pyridin-2-yl-1H-indol-3-yl)-N,N-bis(cyanomethyl)butanamide Openeye Name: 4-[5-chloro-2-(2-pyridyl)-1H-indol-3-yl]-N,N-bis(cyanomethyl)butanamide CAS Name: 4-[5-chloro-2-(2-pyridinyl)-1H-indol-3-yl]-N,N-bis(cyanomethyl)butanamide IUPAC Name: 4-(5-chloro-2-pyridin-2-yl-1H-indol-3-yl)-N,N-bis(cyanomethyl)butanamide Traditional Name: 4-[5-chloro-2-(2-pyridyl)-1H-indol-3-yl]-N,N-bis(cyanomethyl)butyramide Formula: C21H18ClN5O MolecularWeight: 391.85352

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=NC(=C1)C2=C(C3=C(N2)C=CC(=C3)Cl)CCCC(=O)N(CC#N)CC#N

Isomeric SMILES

C1=CC=NC(=C1)C2=C(C3=C(N2)C=CC(=C3)Cl)CCCC(=O)N(CC#N)CC#N

InChI

InChI=1S/C21H18ClN5O/c22-15-7-8-18-17(14-15)16(21(26-18)19-5-1-2-11-25-19)4-3-6-20(28)27(12-9-23)13-10-24/h1-2,5,7-8,11,14,26H,3-4,6,12-13H2