N-(1-adamantylmethyl)-2-chloranyl-5-[(2R)-2-oxidanyl-3-(3-oxidanylpropylamino)propyl]benzamide

Systemtic Name: N-(1-adamantylmethyl)-2-chloranyl-5-[(2R)-2-oxidanyl-3-(3-oxidanylpropylamino)propyl]benzamide Openeye Name: N-(1-adamantylmethyl)-2-chloro-5-[(2R)-2-hydroxy-3-(3-hydroxypropylamino)propyl]benzamide CAS Name: N-(1-adamantylmethyl)-2-chloro-5-[(2R)-2-hydroxy-3-(3-hydroxypropylamino)propyl]benzamide IUPAC Name: N-(1-adamantylmethyl)-2-chloro-5-[(2R)-2-hydroxy-3-(3-hydroxypropylamino)propyl]benzamide Traditional Name: N-(1-adamantylmethyl)-2-chloro-5-[(2R)-2-hydroxy-3-(3-hydroxypropylamino)propyl]benzamide Formula: C24H35ClN2O3 MolecularWeight: 434.9993

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)CNC(=O)C4=C(C=CC(=C4)CC(CNCCCO)O)Cl

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)CNC(=O)C4=C(C=CC(=C4)C[C@H](CNCCCO)O)Cl

InChI

InChI=1S/C24H35ClN2O3/c25-22-3-2-16(9-20(29)14-26-4-1-5-28)10-21(22)23(30)27-15-24-11-17-6-18(12-24)8-19(7-17)13-24/h2-3,10,17-20,26,28-29H,1,4-9,11-15H2,(H,27,30)/t17?,18?,19?,20-,24?/m1/s1