4-azanyl-5-chloranyl-2-hept-4-yn-3-yloxy-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)benzamide

Systemtic Name: 4-azanyl-5-chloranyl-2-hept-4-yn-3-yloxy-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)benzamide Openeye Name: 4-amino-5-chloro-2-(1-ethylpent-2-ynoxy)-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)benzamide CAS Name: 4-amino-5-chloro-2-hept-4-yn-3-yloxy-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)benzamide IUPAC Name: 4-amino-5-chloro-2-hept-4-yn-3-yloxy-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)benzamide Traditional Name: 4-amino-5-chloro-2-(1-ethylpent-2-ynoxy)-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)benzamide Formula: C22H30ClN3O2 MolecularWeight: 403.9455

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Descriptors Computed from Structure

Canonical SMILES:

CCC#CC(CC)OC1=CC(=C(C=C1C(=O)NC2CC3CCC(C2)N3C)Cl)N

Isomeric SMILES

CCC#CC(CC)OC1=CC(=C(C=C1C(=O)NC2CC3CCC(C2)N3C)Cl)N

InChI

InChI=1S/C22H30ClN3O2/c1-4-6-7-17(5-2)28-21-13-20(24)19(23)12-18(21)22(27)25-14-10-15-8-9-16(11-14)26(15)3/h12-17H,4-5,8-11,24H2,1-3H3,(H,25,27)