N-(1-adamantylmethyl)-2-chloranyl-5-[(3S)-4-(methylamino)-3-oxidanyl-butyl]benzamide

Systemtic Name: N-(1-adamantylmethyl)-2-chloranyl-5-[(3S)-4-(methylamino)-3-oxidanyl-butyl]benzamide Openeye Name: N-(1-adamantylmethyl)-2-chloro-5-[(3S)-3-hydroxy-4-(methylamino)butyl]benzamide CAS Name: N-(1-adamantylmethyl)-2-chloro-5-[(3S)-3-hydroxy-4-(methylamino)butyl]benzamide IUPAC Name: N-(1-adamantylmethyl)-2-chloro-5-[(3S)-3-hydroxy-4-(methylamino)butyl]benzamide Traditional Name: N-(1-adamantylmethyl)-2-chloro-5-[(3S)-3-hydroxy-4-(methylamino)butyl]benzamide Formula: C23H33ClN2O2 MolecularWeight: 404.97332

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CNCC(CCC1=CC(=C(C=C1)Cl)C(=O)NCC23CC4CC(C2)CC(C4)C3)O

Isomeric SMILES

CNC[C@H](CCC1=CC(=C(C=C1)Cl)C(=O)NCC23CC4CC(C2)CC(C4)C3)O

InChI

InChI=1S/C23H33ClN2O2/c1-25-13-19(27)4-2-15-3-5-21(24)20(9-15)22(28)26-14-23-10-16-6-17(11-23)8-18(7-16)12-23/h3,5,9,16-19,25,27H,2,4,6-8,10-14H2,1H3,(H,26,28)/t16?,17?,18?,19-,23?/m0/s1