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

Systemtic Name: N-(1-adamantylmethyl)-2-chloranyl-5-[3-(3-imidazol-1-ylpropylamino)propyl]benzamide Openeye Name: N-(1-adamantylmethyl)-2-chloro-5-[3-(3-imidazol-1-ylpropylamino)propyl]benzamide CAS Name: N-(1-adamantylmethyl)-2-chloro-5-[3-[3-(1-imidazolyl)propylamino]propyl]benzamide IUPAC Name: N-(1-adamantylmethyl)-2-chloro-5-[3-(3-imidazol-1-ylpropylamino)propyl]benzamide Traditional Name: N-(1-adamantylmethyl)-2-chloro-5-[3-(3-imidazol-1-ylpropylamino)propyl]benzamide Formula: C27H37ClN4O MolecularWeight: 469.06188

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)CNC(=O)C4=C(C=CC(=C4)CCCNCCCN5C=CN=C5)Cl

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)CNC(=O)C4=C(C=CC(=C4)CCCNCCCN5C=CN=C5)Cl

InChI

InChI=1S/C27H37ClN4O/c28-25-5-4-20(3-1-6-29-7-2-9-32-10-8-30-19-32)14-24(25)26(33)31-18-27-15-21-11-22(16-27)13-23(12-21)17-27/h4-5,8,10,14,19,21-23,29H,1-3,6-7,9,11-13,15-18H2,(H,31,33)