5-chloranyl-N-(5-ethynylpyridin-2-yl)-2-[[4-(N-methyl-N-propyl-carbamimidoyl)phenyl]carbonylamino]benzamide

Systemtic Name: 5-chloranyl-N-(5-ethynylpyridin-2-yl)-2-[[4-(N-methyl-N-propyl-carbamimidoyl)phenyl]carbonylamino]benzamide Openeye Name: 5-chloro-N-(5-ethynyl-2-pyridyl)-2-[[4-(N-methyl-N-propyl-carbamimidoyl)benzoyl]amino]benzamide CAS Name: 5-chloro-N-(5-ethynyl-2-pyridinyl)-2-[[[4-[imino-[methyl(propyl)amino]methyl]phenyl]-oxomethyl]amino]benzamide IUPAC Name: 5-chloro-N-(5-ethynylpyridin-2-yl)-2-[[4-(N-methyl-N-propylcarbamimidoyl)benzoyl]amino]benzamide Traditional Name: 5-chloro-N-(5-ethynyl-2-pyridyl)-2-[[4-(N-methyl-N-propyl-amidino)benzoyl]amino]benzamide Formula: C26H24ClN5O2 MolecularWeight: 473.95406

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(C)C(=N)C1=CC=C(C=C1)C(=O)NC2=C(C=C(C=C2)Cl)C(=O)NC3=NC=C(C=C3)C#C

Isomeric SMILES

CCCN(C)C(=N)C1=CC=C(C=C1)C(=O)NC2=C(C=C(C=C2)Cl)C(=O)NC3=NC=C(C=C3)C#C

InChI

InChI=1S/C26H24ClN5O2/c1-4-14-32(3)24(28)18-7-9-19(10-8-18)25(33)30-22-12-11-20(27)15-21(22)26(34)31-23-13-6-17(5-2)16-29-23/h2,6-13,15-16,28H,4,14H2,1,3H3,(H,30,33)(H,29,31,34)