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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C(=O)NC2=C(N=CC=C2)NC(=O)NC34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C(=O)NC2=C(N=CC=C2)NC(=O)NC34CC5CC(C3)CC(C5)C4

InChI

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