4-azanyl-5-chloranyl-N-(3,7-dimethyl-3,7-diazabicyclo[3.3.1]nonan-9-yl)-2-pent-3-yn-2-yloxy-benzamide

Systemtic Name: 4-azanyl-5-chloranyl-N-(3,7-dimethyl-3,7-diazabicyclo[3.3.1]nonan-9-yl)-2-pent-3-yn-2-yloxy-benzamide Openeye Name: 4-amino-5-chloro-N-(3,7-dimethyl-3,7-diazabicyclo[3.3.1]nonan-9-yl)-2-(1-methylbut-2-ynoxy)benzamide CAS Name: 4-amino-5-chloro-N-(3,7-dimethyl-3,7-diazabicyclo[3.3.1]nonan-9-yl)-2-pent-3-yn-2-yloxybenzamide IUPAC Name: 4-amino-5-chloro-N-(3,7-dimethyl-3,7-diazabicyclo[3.3.1]nonan-9-yl)-2-pent-3-yn-2-yloxybenzamide Traditional Name: 4-amino-5-chloro-N-(3,7-dimethyl-3,7-diazabicyclo[3.3.1]nonan-9-yl)-2-(1-methylbut-2-ynoxy)benzamide Formula: C21H29ClN4O2 MolecularWeight: 404.93356

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Descriptors Computed from Structure

Canonical SMILES:

CC#CC(C)OC1=CC(=C(C=C1C(=O)NC2C3CN(CC2CN(C3)C)C)Cl)N

Isomeric SMILES

CC#CC(C)OC1=CC(=C(C=C1C(=O)NC2C3CN(CC2CN(C3)C)C)Cl)N

InChI

InChI=1S/C21H29ClN4O2/c1-5-6-13(2)28-19-8-18(23)17(22)7-16(19)21(27)24-20-14-9-25(3)10-15(20)12-26(4)11-14/h7-8,13-15,20H,9-12,23H2,1-4H3,(H,24,27)