3-chloranyl-N-[3-[(3-fluorophenyl)carbonylamino]-4-methoxy-phenyl]adamantane-1-carboxamide

Systemtic Name: 3-chloranyl-N-[3-[(3-fluorophenyl)carbonylamino]-4-methoxy-phenyl]adamantane-1-carboxamide Openeye Name: 3-chloro-N-[3-[(3-fluorobenzoyl)amino]-4-methoxy-phenyl]adamantane-1-carboxamide CAS Name: 3-chloro-N-[3-[[(3-fluorophenyl)-oxomethyl]amino]-4-methoxyphenyl]-1-adamantanecarboxamide IUPAC Name: 3-chloro-N-[3-[(3-fluorobenzoyl)amino]-4-methoxyphenyl]adamantane-1-carboxamide Traditional Name: 3-chloro-N-[3-[(3-fluorobenzoyl)amino]-4-methoxy-phenyl]adamantane-1-carboxamide Formula: C25H26ClFN2O3 MolecularWeight: 456.936943

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC(=O)C23CC4CC(C2)CC(C4)(C3)Cl)NC(=O)C5=CC(=CC=C5)F

Isomeric SMILES

COC1=C(C=C(C=C1)NC(=O)C23CC4CC(C2)CC(C4)(C3)Cl)NC(=O)C5=CC(=CC=C5)F

InChI

InChI=1S/C25H26ClFN2O3/c1-32-21-6-5-19(9-20(21)29-22(30)17-3-2-4-18(27)8-17)28-23(31)24-10-15-7-16(11-24)13-25(26,12-15)14-24/h2-6,8-9,15-16H,7,10-14H2,1H3,(H,28,31)(H,29,30)