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

Systemtic Name: 4-chloranyl-N-[1-[(N-cyano-N'-pyridin-3-yl-carbamimidoyl)-methyl-amino]-2,2-dimethyl-propyl]benzamide Openeye Name: 4-chloro-N-[1-[[N-cyano-N'-(3-pyridyl)carbamimidoyl]-methyl-amino]-2,2-dimethyl-propyl]benzamide CAS Name: 4-chloro-N-[1-[[(cyanoamino)-(3-pyridinylimino)methyl]-methylamino]-2,2-dimethylpropyl]benzamide IUPAC Name: 4-chloro-N-[1-[(N-cyano-N'-pyridin-3-ylcarbamimidoyl)-methylamino]-2,2-dimethylpropyl]benzamide Traditional Name: 4-chloro-N-[1-[[N-cyano-N'-(3-pyridyl)amidino]-methyl-amino]-2,2-dimethyl-propyl]benzamide Formula: C20H23ClN6O MolecularWeight: 398.88922

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23ClN6O/c1-20(2,3)18(26-17(28)14-7-9-15(21)10-8-14)27(4)19(24-13-22)25-16-6-5-11-23-12-16/h5-12,18H,1-4H3,(H,24,25)(H,26,28)