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

Systemtic Name: N-(1-adamantylmethyl)-2-chloranyl-5-[(2S)-3-(methylamino)-2-oxidanyl-propyl]benzamide Openeye Name: N-(1-adamantylmethyl)-2-chloro-5-[(2S)-2-hydroxy-3-(methylamino)propyl]benzamide CAS Name: N-(1-adamantylmethyl)-2-chloro-5-[(2S)-2-hydroxy-3-(methylamino)propyl]benzamide IUPAC Name: N-(1-adamantylmethyl)-2-chloro-5-[(2S)-2-hydroxy-3-(methylamino)propyl]benzamide Traditional Name: N-(1-adamantylmethyl)-2-chloro-5-[(2S)-2-hydroxy-3-(methylamino)propyl]benzamide Formula: C22H31ClN2O2 MolecularWeight: 390.94674

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Descriptors Computed from Structure

Canonical SMILES:

CNCC(CC1=CC(=C(C=C1)Cl)C(=O)NCC23CC4CC(C2)CC(C4)C3)O

Isomeric SMILES

CNC[C@H](CC1=CC(=C(C=C1)Cl)C(=O)NCC23CC4CC(C2)CC(C4)C3)O

InChI

InChI=1S/C22H31ClN2O2/c1-24-12-18(26)7-14-2-3-20(23)19(8-14)21(27)25-13-22-9-15-4-16(10-22)6-17(5-15)11-22/h2-3,8,15-18,24,26H,4-7,9-13H2,1H3,(H,25,27)/t15?,16?,17?,18-,22?/m0/s1