N-[(5-bromanyl-2-fluoranyl-phenyl)methylideneamino]-3-(4-methylphenyl)adamantane-1-carboxamide

Systemtic Name: N-[(5-bromanyl-2-fluoranyl-phenyl)methylideneamino]-3-(4-methylphenyl)adamantane-1-carboxamide Openeye Name: N-[(5-bromo-2-fluoro-phenyl)methyleneamino]-3-(p-tolyl)adamantane-1-carboxamide CAS Name: N-[(5-bromo-2-fluorophenyl)methylideneamino]-3-(4-methylphenyl)-1-adamantanecarboxamide IUPAC Name: N-[(5-bromo-2-fluorophenyl)methylideneamino]-3-(4-methylphenyl)adamantane-1-carboxamide Traditional Name: N-[(5-bromo-2-fluoro-benzylidene)amino]-3-(p-tolyl)adamantane-1-carboxamide Formula: C25H26BrFN2O MolecularWeight: 469.389143

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C23CC4CC(C2)CC(C4)(C3)C(=O)NN=CC5=C(C=CC(=C5)Br)F

Isomeric SMILES

CC1=CC=C(C=C1)C23CC4CC(C2)CC(C4)(C3)C(=O)NN=CC5=C(C=CC(=C5)Br)F

InChI

InChI=1S/C25H26BrFN2O/c1-16-2-4-20(5-3-16)24-10-17-8-18(11-24)13-25(12-17,15-24)23(30)29-28-14-19-9-21(26)6-7-22(19)27/h2-7,9,14,17-18H,8,10-13,15H2,1H3,(H,29,30)