N-(1-adamantylmethyl)-2-chloranyl-5-[2-(3-imidazol-1-ylpropylamino)ethylamino]benzamide

Systemtic Name: N-(1-adamantylmethyl)-2-chloranyl-5-[2-(3-imidazol-1-ylpropylamino)ethylamino]benzamide Openeye Name: N-(1-adamantylmethyl)-2-chloro-5-[2-(3-imidazol-1-ylpropylamino)ethylamino]benzamide CAS Name: N-(1-adamantylmethyl)-2-chloro-5-[2-[3-(1-imidazolyl)propylamino]ethylamino]benzamide IUPAC Name: N-(1-adamantylmethyl)-2-chloro-5-[2-(3-imidazol-1-ylpropylamino)ethylamino]benzamide Traditional Name: N-(1-adamantylmethyl)-2-chloro-5-[2-(3-imidazol-1-ylpropylamino)ethylamino]benzamide Formula: C26H36ClN5O MolecularWeight: 470.04994

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)CNC(=O)C4=C(C=CC(=C4)NCCNCCCN5C=CN=C5)Cl

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)CNC(=O)C4=C(C=CC(=C4)NCCNCCCN5C=CN=C5)Cl

InChI

InChI=1S/C26H36ClN5O/c27-24-3-2-22(30-6-5-28-4-1-8-32-9-7-29-18-32)13-23(24)25(33)31-17-26-14-19-10-20(15-26)12-21(11-19)16-26/h2-3,7,9,13,18-21,28,30H,1,4-6,8,10-12,14-17H2,(H,31,33)