N-(1-adamantylmethyl)-2-chloranyl-5-[3-[2-(1-methylimidazol-4-yl)ethylamino]propyl]benzamide

Systemtic Name: N-(1-adamantylmethyl)-2-chloranyl-5-[3-[2-(1-methylimidazol-4-yl)ethylamino]propyl]benzamide Openeye Name: N-(1-adamantylmethyl)-2-chloro-5-[3-[2-(1-methylimidazol-4-yl)ethylamino]propyl]benzamide CAS Name: N-(1-adamantylmethyl)-2-chloro-5-[3-[2-(1-methyl-4-imidazolyl)ethylamino]propyl]benzamide IUPAC Name: N-(1-adamantylmethyl)-2-chloro-5-[3-[2-(1-methylimidazol-4-yl)ethylamino]propyl]benzamide Traditional Name: N-(1-adamantylmethyl)-2-chloro-5-[3-[2-(1-methylimidazol-4-yl)ethylamino]propyl]benzamide Formula: C27H37ClN4O MolecularWeight: 469.06188

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(N=C1)CCNCCCC2=CC(=C(C=C2)Cl)C(=O)NCC34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CN1C=C(N=C1)CCNCCCC2=CC(=C(C=C2)Cl)C(=O)NCC34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C27H37ClN4O/c1-32-16-23(31-18-32)6-8-29-7-2-3-19-4-5-25(28)24(12-19)26(33)30-17-27-13-20-9-21(14-27)11-22(10-20)15-27/h4-5,12,16,18,20-22,29H,2-3,6-11,13-15,17H2,1H3,(H,30,33)