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

Systemtic Name: N-methyl-N-(N-oxidanylidenecarbamimidoyl)-7-[5-(pyrrolidin-1-ylmethyl)pyridin-3-yl]-1H-indole-2-carboxamide Openeye Name: N-methyl-N-(N-oxocarbamimidoyl)-7-[5-(pyrrolidin-1-ylmethyl)-3-pyridyl]-1H-indole-2-carboxamide CAS Name: N-[imino(nitroso)methyl]-N-methyl-7-[5-(1-pyrrolidinylmethyl)-3-pyridinyl]-1H-indole-2-carboxamide IUPAC Name: N-methyl-N-(N-oxocarbamimidoyl)-7-[5-(pyrrolidin-1-ylmethyl)pyridin-3-yl]-1H-indole-2-carboxamide Traditional Name: N-(N-ketoamidino)-N-methyl-7-[5-(pyrrolidinomethyl)-3-pyridyl]-1H-indole-2-carboxamide Formula: C21H22N6O2 MolecularWeight: 390.43838

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Descriptors Computed from Structure

Canonical SMILES:

CN(C(=O)C1=CC2=C(N1)C(=CC=C2)C3=CC(=CN=C3)CN4CCCC4)C(=N)N=O

Isomeric SMILES

CN(C(=O)C1=CC2=C(N1)C(=CC=C2)C3=CC(=CN=C3)CN4CCCC4)C(=N)N=O

InChI

InChI=1S/C21H22N6O2/c1-26(21(22)25-29)20(28)18-10-15-5-4-6-17(19(15)24-18)16-9-14(11-23-12-16)13-27-7-2-3-8-27/h4-6,9-12,22,24H,2-3,7-8,13H2,1H3