N-[[4-[[(4-bromanyl-1H-pyrrol-2-yl)carbonylamino]carbamoyl]phenyl]methyl]adamantane-1-carboxamide

Systemtic Name: N-[[4-[[(4-bromanyl-1H-pyrrol-2-yl)carbonylamino]carbamoyl]phenyl]methyl]adamantane-1-carboxamide Openeye Name: N-[[4-[[(4-bromo-1H-pyrrole-2-carbonyl)amino]carbamoyl]phenyl]methyl]adamantane-1-carboxamide CAS Name: N-[[4-[[[(4-bromo-1H-pyrrol-2-yl)-oxomethyl]hydrazo]-oxomethyl]phenyl]methyl]-1-adamantanecarboxamide IUPAC Name: N-[[4-[[(4-bromo-1H-pyrrole-2-carbonyl)amino]carbamoyl]phenyl]methyl]adamantane-1-carboxamide Traditional Name: N-[4-[[(4-bromo-1H-pyrrole-2-carbonyl)amino]carbamoyl]benzyl]adamantane-1-carboxamide Formula: C24H27BrN4O3 MolecularWeight: 499.40018

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C(=O)NCC4=CC=C(C=C4)C(=O)NNC(=O)C5=CC(=CN5)Br

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C(=O)NCC4=CC=C(C=C4)C(=O)NNC(=O)C5=CC(=CN5)Br

InChI

InChI=1S/C24H27BrN4O3/c25-19-8-20(26-13-19)22(31)29-28-21(30)18-3-1-14(2-4-18)12-27-23(32)24-9-15-5-16(10-24)7-17(6-15)11-24/h1-4,8,13,15-17,26H,5-7,9-12H2,(H,27,32)(H,28,30)(H,29,31)