N-(1-adamantylmethyl)-2-chloranyl-5-[2-[(2-oxidanyl-2-phenyl-ethyl)amino]ethylamino]benzamide

Systemtic Name: N-(1-adamantylmethyl)-2-chloranyl-5-[2-[(2-oxidanyl-2-phenyl-ethyl)amino]ethylamino]benzamide Openeye Name: N-(1-adamantylmethyl)-2-chloro-5-[2-[(2-hydroxy-2-phenyl-ethyl)amino]ethylamino]benzamide CAS Name: N-(1-adamantylmethyl)-2-chloro-5-[2-[(2-hydroxy-2-phenylethyl)amino]ethylamino]benzamide IUPAC Name: N-(1-adamantylmethyl)-2-chloro-5-[2-[(2-hydroxy-2-phenylethyl)amino]ethylamino]benzamide Traditional Name: N-(1-adamantylmethyl)-2-chloro-5-[2-[(2-hydroxy-2-phenyl-ethyl)amino]ethylamino]benzamide Formula: C28H36ClN3O2 MolecularWeight: 482.05734

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)CNC(=O)C4=C(C=CC(=C4)NCCNCC(C5=CC=CC=C5)O)Cl

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)CNC(=O)C4=C(C=CC(=C4)NCCNCC(C5=CC=CC=C5)O)Cl

InChI

InChI=1S/C28H36ClN3O2/c29-25-7-6-23(31-9-8-30-17-26(33)22-4-2-1-3-5-22)13-24(25)27(34)32-18-28-14-19-10-20(15-28)12-21(11-19)16-28/h1-7,13,19-21,26,30-31,33H,8-12,14-18H2,(H,32,34)