N-methyl-N-(N-oxidanylidenecarbamimidoyl)-6-[5-(pyrrolidin-1-ylmethyl)pyridin-3-yl]-1H-indole-2-carboxamide

Systemtic Name: N-methyl-N-(N-oxidanylidenecarbamimidoyl)-6-[5-(pyrrolidin-1-ylmethyl)pyridin-3-yl]-1H-indole-2-carboxamide Openeye Name: N-methyl-N-(N-oxocarbamimidoyl)-6-[5-(pyrrolidin-1-ylmethyl)-3-pyridyl]-1H-indole-2-carboxamide CAS Name: N-[imino(nitroso)methyl]-N-methyl-6-[5-(1-pyrrolidinylmethyl)-3-pyridinyl]-1H-indole-2-carboxamide IUPAC Name: N-methyl-N-(N-oxocarbamimidoyl)-6-[5-(pyrrolidin-1-ylmethyl)pyridin-3-yl]-1H-indole-2-carboxamide Traditional Name: N-(N-ketoamidino)-N-methyl-6-[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=C(C=C2)C3=CC(=CN=C3)CN4CCCC4)C(=N)N=O

Isomeric SMILES

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

InChI

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