N-(1-adamantylmethyl)-2-chloranyl-5-[6-(cyanoamino)pyrazin-2-yl]benzamide

Systemtic Name: N-(1-adamantylmethyl)-2-chloranyl-5-[6-(cyanoamino)pyrazin-2-yl]benzamide Openeye Name: N-(1-adamantylmethyl)-2-chloro-5-[6-(cyanoamino)pyrazin-2-yl]benzamide CAS Name: N-(1-adamantylmethyl)-2-chloro-5-[6-(cyanoamino)-2-pyrazinyl]benzamide IUPAC Name: N-(1-adamantylmethyl)-2-chloro-5-[6-(cyanoamino)pyrazin-2-yl]benzamide Traditional Name: N-(1-adamantylmethyl)-2-chloro-5-[6-(cyanoamino)pyrazin-2-yl]benzamide Formula: C23H24ClN5O MolecularWeight: 421.92256

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)CNC(=O)C4=C(C=CC(=C4)C5=CN=CC(=N5)NC#N)Cl

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)CNC(=O)C4=C(C=CC(=C4)C5=CN=CC(=N5)NC#N)Cl

InChI

InChI=1S/C23H24ClN5O/c24-19-2-1-17(20-10-26-11-21(29-20)28-13-25)6-18(19)22(30)27-12-23-7-14-3-15(8-23)5-16(4-14)9-23/h1-2,6,10-11,14-16H,3-5,7-9,12H2,(H,27,30)(H,28,29)