3-bromanyl-N-[3-[(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)carbamoyl]phenyl]adamantane-1-carboxamide

Systemtic Name: 3-bromanyl-N-[3-[(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)carbamoyl]phenyl]adamantane-1-carboxamide Openeye Name: 3-bromo-N-[3-[(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)carbamoyl]phenyl]adamantane-1-carboxamide CAS Name: 3-bromo-N-[3-[[(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)amino]-oxomethyl]phenyl]-1-adamantanecarboxamide IUPAC Name: 3-bromo-N-[3-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)carbamoyl]phenyl]adamantane-1-carboxamide Traditional Name: 3-bromo-N-[3-[(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)carbamoyl]phenyl]adamantane-1-carboxamide Formula: C29H31BrN4O3 MolecularWeight: 563.48544

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)C3=CC(=CC=C3)NC(=O)C45CC6CC(C4)CC(C6)(C5)Br

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)C3=CC(=CC=C3)NC(=O)C45CC6CC(C4)CC(C6)(C5)Br

InChI

InChI=1S/C29H31BrN4O3/c1-18-24(26(36)34(33(18)2)23-9-4-3-5-10-23)32-25(35)21-7-6-8-22(12-21)31-27(37)28-13-19-11-20(14-28)16-29(30,15-19)17-28/h3-10,12,19-20H,11,13-17H2,1-2H3,(H,31,37)(H,32,35)