N-(1-adamantyl)-2-chloranyl-5-[2-[2-(1-methylimidazol-4-yl)ethylamino]ethylamino]benzamide

Systemtic Name: N-(1-adamantyl)-2-chloranyl-5-[2-[2-(1-methylimidazol-4-yl)ethylamino]ethylamino]benzamide Openeye Name: N-(1-adamantyl)-2-chloro-5-[2-[2-(1-methylimidazol-4-yl)ethylamino]ethylamino]benzamide CAS Name: N-(1-adamantyl)-2-chloro-5-[2-[2-(1-methyl-4-imidazolyl)ethylamino]ethylamino]benzamide IUPAC Name: N-(1-adamantyl)-2-chloro-5-[2-[2-(1-methylimidazol-4-yl)ethylamino]ethylamino]benzamide Traditional Name: N-(1-adamantyl)-2-chloro-5-[2-[2-(1-methylimidazol-4-yl)ethylamino]ethylamino]benzamide Formula: C25H34ClN5O MolecularWeight: 456.02336

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(N=C1)CCNCCNC2=CC(=C(C=C2)Cl)C(=O)NC34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CN1C=C(N=C1)CCNCCNC2=CC(=C(C=C2)Cl)C(=O)NC34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C25H34ClN5O/c1-31-15-21(29-16-31)4-5-27-6-7-28-20-2-3-23(26)22(11-20)24(32)30-25-12-17-8-18(13-25)10-19(9-17)14-25/h2-3,11,15-19,27-28H,4-10,12-14H2,1H3,(H,30,32)