4-chloranyl-N-[1-[(N-cyano-N'-pyridin-3-yl-carbamimidoyl)-oxidanyl-amino]-2,2-dimethyl-propyl]benzamide

Systemtic Name: 4-chloranyl-N-[1-[(N-cyano-N'-pyridin-3-yl-carbamimidoyl)-oxidanyl-amino]-2,2-dimethyl-propyl]benzamide Openeye Name: 4-chloro-N-[1-[[N-cyano-N'-(3-pyridyl)carbamimidoyl]-hydroxy-amino]-2,2-dimethyl-propyl]benzamide CAS Name: 4-chloro-N-[1-[[(cyanoamino)-(3-pyridinylimino)methyl]-hydroxyamino]-2,2-dimethylpropyl]benzamide IUPAC Name: 4-chloro-N-[1-[(N-cyano-N'-pyridin-3-ylcarbamimidoyl)-hydroxyamino]-2,2-dimethylpropyl]benzamide Traditional Name: 4-chloro-N-[1-[[N-cyano-N'-(3-pyridyl)amidino]-hydroxy-amino]-2,2-dimethyl-propyl]benzamide Formula: C19H21ClN6O2 MolecularWeight: 400.86204

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(NC(=O)C1=CC=C(C=C1)Cl)N(C(=NC2=CN=CC=C2)NC#N)O

Isomeric SMILES

CC(C)(C)C(NC(=O)C1=CC=C(C=C1)Cl)N(C(=NC2=CN=CC=C2)NC#N)O

InChI

InChI=1S/C19H21ClN6O2/c1-19(2,3)17(25-16(27)13-6-8-14(20)9-7-13)26(28)18(23-12-21)24-15-5-4-10-22-11-15/h4-11,17,28H,1-3H3,(H,23,24)(H,25,27)