4-chloranyl-N-methyl-N-(N-oxidanylidenecarbamimidoyl)-7-[5-(pyrrolidin-1-ylmethyl)pyridin-3-yl]-1H-indole-2-carboxamide

Systemtic Name: 4-chloranyl-N-methyl-N-(N-oxidanylidenecarbamimidoyl)-7-[5-(pyrrolidin-1-ylmethyl)pyridin-3-yl]-1H-indole-2-carboxamide Openeye Name: 4-chloro-N-methyl-N-(N-oxocarbamimidoyl)-7-[5-(pyrrolidin-1-ylmethyl)-3-pyridyl]-1H-indole-2-carboxamide CAS Name: 4-chloro-N-[imino(nitroso)methyl]-N-methyl-7-[5-(1-pyrrolidinylmethyl)-3-pyridinyl]-1H-indole-2-carboxamide IUPAC Name: 4-chloro-N-methyl-N-(N-oxocarbamimidoyl)-7-[5-(pyrrolidin-1-ylmethyl)pyridin-3-yl]-1H-indole-2-carboxamide Traditional Name: 4-chloro-N-(N-ketoamidino)-N-methyl-7-[5-(pyrrolidinomethyl)-3-pyridyl]-1H-indole-2-carboxamide Formula: C21H21ClN6O2 MolecularWeight: 424.88344

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C(=O)C1=CC2=C(C=CC(=C2N1)C3=CC(=CN=C3)CN4CCCC4)Cl)C(=N)N=O

Isomeric SMILES

CN(C(=O)C1=CC2=C(C=CC(=C2N1)C3=CC(=CN=C3)CN4CCCC4)Cl)C(=N)N=O

InChI

InChI=1S/C21H21ClN6O2/c1-27(21(23)26-30)20(29)18-9-16-17(22)5-4-15(19(16)25-18)14-8-13(10-24-11-14)12-28-6-2-3-7-28/h4-5,8-11,23,25H,2-3,6-7,12H2,1H3