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

Systemtic Name: N-[4-[(4-bromanyl-2-methyl-phenyl)amino]-4-oxidanylidene-butyl]adamantane-1-carboxamide Openeye Name: N-[4-(4-bromo-2-methyl-anilino)-4-oxo-butyl]adamantane-1-carboxamide CAS Name: N-[4-(4-bromo-2-methylanilino)-4-oxobutyl]-1-adamantanecarboxamide IUPAC Name: N-[4-(4-bromo-2-methylanilino)-4-oxobutyl]adamantane-1-carboxamide Traditional Name: N-[4-(4-bromo-2-methyl-anilino)-4-keto-butyl]adamantane-1-carboxamide Formula: C22H29BrN2O2 MolecularWeight: 433.38186

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H29BrN2O2/c1-14-7-18(23)4-5-19(14)25-20(26)3-2-6-24-21(27)22-11-15-8-16(12-22)10-17(9-15)13-22/h4-5,7,15-17H,2-3,6,8-13H2,1H3,(H,24,27)(H,25,26)