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

Systemtic Name: N-(1-adamantylmethyl)-2-chloranyl-3-[2-[2-(1H-imidazol-5-yl)ethylamino]ethylamino]benzamide Openeye Name: N-(1-adamantylmethyl)-2-chloro-3-[2-[2-(1H-imidazol-5-yl)ethylamino]ethylamino]benzamide CAS Name: N-(1-adamantylmethyl)-2-chloro-3-[2-[2-(1H-imidazol-5-yl)ethylamino]ethylamino]benzamide IUPAC Name: N-(1-adamantylmethyl)-2-chloro-3-[2-[2-(1H-imidazol-5-yl)ethylamino]ethylamino]benzamide Traditional Name: N-(1-adamantylmethyl)-2-chloro-3-[2-[2-(1H-imidazol-5-yl)ethylamino]ethylamino]benzamide Formula: C25H34ClN5O MolecularWeight: 456.02336

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)CNC(=O)C4=C(C(=CC=C4)NCCNCCC5=CN=CN5)Cl

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)CNC(=O)C4=C(C(=CC=C4)NCCNCCC5=CN=CN5)Cl

InChI

InChI=1S/C25H34ClN5O/c26-23-21(2-1-3-22(23)29-7-6-27-5-4-20-14-28-16-31-20)24(32)30-15-25-11-17-8-18(12-25)10-19(9-17)13-25/h1-3,14,16-19,27,29H,4-13,15H2,(H,28,31)(H,30,32)