N-(1-adamantylmethyl)-2-chloranyl-5-[3-[(3-methyl-1-oxidanyl-butan-2-yl)amino]propyl]benzamide

Systemtic Name: N-(1-adamantylmethyl)-2-chloranyl-5-[3-[(3-methyl-1-oxidanyl-butan-2-yl)amino]propyl]benzamide Openeye Name: N-(1-adamantylmethyl)-2-chloro-5-[3-[[1-(hydroxymethyl)-2-methyl-propyl]amino]propyl]benzamide CAS Name: N-(1-adamantylmethyl)-2-chloro-5-[3-[(1-hydroxy-3-methylbutan-2-yl)amino]propyl]benzamide IUPAC Name: N-(1-adamantylmethyl)-2-chloro-5-[3-[(1-hydroxy-3-methylbutan-2-yl)amino]propyl]benzamide Traditional Name: N-(1-adamantylmethyl)-2-chloro-5-[3-[(2-methyl-1-methylol-propyl)amino]propyl]benzamide Formula: C26H39ClN2O2 MolecularWeight: 447.05306

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(CO)NCCCC1=CC(=C(C=C1)Cl)C(=O)NCC23CC4CC(C2)CC(C4)C3

Isomeric SMILES

CC(C)C(CO)NCCCC1=CC(=C(C=C1)Cl)C(=O)NCC23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C26H39ClN2O2/c1-17(2)24(15-30)28-7-3-4-18-5-6-23(27)22(11-18)25(31)29-16-26-12-19-8-20(13-26)10-21(9-19)14-26/h5-6,11,17,19-21,24,28,30H,3-4,7-10,12-16H2,1-2H3,(H,29,31)