N-[4-bromanyl-2-[[(4-chlorophenyl)carbonylamino]carbamoyl]phenyl]adamantane-1-carboxamide

Systemtic Name: N-[4-bromanyl-2-[[(4-chlorophenyl)carbonylamino]carbamoyl]phenyl]adamantane-1-carboxamide Openeye Name: N-[4-bromo-2-[[(4-chlorobenzoyl)amino]carbamoyl]phenyl]adamantane-1-carboxamide CAS Name: N-[4-bromo-2-[[[(4-chlorophenyl)-oxomethyl]hydrazo]-oxomethyl]phenyl]-1-adamantanecarboxamide IUPAC Name: N-[4-bromo-2-[[(4-chlorobenzoyl)amino]carbamoyl]phenyl]adamantane-1-carboxamide Traditional Name: N-[4-bromo-2-[[(4-chlorobenzoyl)amino]carbamoyl]phenyl]adamantane-1-carboxamide Formula: C25H25BrClN3O3 MolecularWeight: 530.8413

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C(=O)NC4=C(C=C(C=C4)Br)C(=O)NNC(=O)C5=CC=C(C=C5)Cl

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C(=O)NC4=C(C=C(C=C4)Br)C(=O)NNC(=O)C5=CC=C(C=C5)Cl

InChI

InChI=1S/C25H25BrClN3O3/c26-18-3-6-21(28-24(33)25-11-14-7-15(12-25)9-16(8-14)13-25)20(10-18)23(32)30-29-22(31)17-1-4-19(27)5-2-17/h1-6,10,14-16H,7-9,11-13H2,(H,28,33)(H,29,31)(H,30,32)