N-[3-[(2-bromanyl-4-methyl-phenyl)amino]-3-oxidanylidene-propyl]adamantane-1-carboxamide

Systemtic Name: N-[3-[(2-bromanyl-4-methyl-phenyl)amino]-3-oxidanylidene-propyl]adamantane-1-carboxamide Openeye Name: N-[3-(2-bromo-4-methyl-anilino)-3-oxo-propyl]adamantane-1-carboxamide CAS Name: N-[3-(2-bromo-4-methylanilino)-3-oxopropyl]-1-adamantanecarboxamide IUPAC Name: N-[3-(2-bromo-4-methylanilino)-3-oxopropyl]adamantane-1-carboxamide Traditional Name: N-[3-(2-bromo-4-methyl-anilino)-3-keto-propyl]adamantane-1-carboxamide Formula: C21H27BrN2O2 MolecularWeight: 419.35528

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)CCNC(=O)C23CC4CC(C2)CC(C4)C3)Br

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)CCNC(=O)C23CC4CC(C2)CC(C4)C3)Br

InChI

InChI=1S/C21H27BrN2O2/c1-13-2-3-18(17(22)6-13)24-19(25)4-5-23-20(26)21-10-14-7-15(11-21)9-16(8-14)12-21/h2-3,6,14-16H,4-5,7-12H2,1H3,(H,23,26)(H,24,25)