2-(1-adamantylcarbamoylamino)-3,5-ditert-butyl-4-oxidanyl-6-pyridin-3-yl-benzamide

Systemtic Name: 2-(1-adamantylcarbamoylamino)-3,5-ditert-butyl-4-oxidanyl-6-pyridin-3-yl-benzamide Openeye Name: 2-(1-adamantylcarbamoylamino)-3,5-ditert-butyl-4-hydroxy-6-(3-pyridyl)benzamide CAS Name: 2-[[(1-adamantylamino)-oxomethyl]amino]-3,5-ditert-butyl-4-hydroxy-6-(3-pyridinyl)benzamide IUPAC Name: 2-(1-adamantylcarbamoylamino)-3,5-ditert-butyl-4-hydroxy-6-pyridin-3-ylbenzamide Traditional Name: 2-(1-adamantylcarbamoylamino)-3,5-ditert-butyl-4-hydroxy-6-(3-pyridyl)benzamide Formula: C31H42N4O3 MolecularWeight: 518.69018

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=C(C(=C(C(=C1C2=CN=CC=C2)C(=O)N)NC(=O)NC34CC5CC(C3)CC(C5)C4)C(C)(C)C)O

Isomeric SMILES

CC(C)(C)C1=C(C(=C(C(=C1C2=CN=CC=C2)C(=O)N)NC(=O)NC34CC5CC(C3)CC(C5)C4)C(C)(C)C)O

InChI

InChI=1S/C31H42N4O3/c1-29(2,3)23-21(20-8-7-9-33-16-20)22(27(32)37)25(24(26(23)36)30(4,5)6)34-28(38)35-31-13-17-10-18(14-31)12-19(11-17)15-31/h7-9,16-19,36H,10-15H2,1-6H3,(H2,32,37)(H2,34,35,38)