4-[[(5R,7S)-3-(3-bromanyl-1,2,4-triazol-1-yl)-1-adamantyl]carbonylamino]-2-methyl-pyrazole-3-carboxamide

Systemtic Name: 4-[[(5R,7S)-3-(3-bromanyl-1,2,4-triazol-1-yl)-1-adamantyl]carbonylamino]-2-methyl-pyrazole-3-carboxamide Openeye Name: 4-[[(5R,7S)-3-(3-bromo-1,2,4-triazol-1-yl)adamantane-1-carbonyl]amino]-2-methyl-pyrazole-3-carboxamide CAS Name: 4-[[[(5R,7S)-3-(3-bromo-1,2,4-triazol-1-yl)-1-adamantyl]-oxomethyl]amino]-2-methyl-3-pyrazolecarboxamide IUPAC Name: 4-[[(5R,7S)-3-(3-bromo-1,2,4-triazol-1-yl)adamantane-1-carbonyl]amino]-2-methylpyrazole-3-carboxamide Traditional Name: 4-[[(5R,7S)-3-(3-bromo-1,2,4-triazol-1-yl)adamantane-1-carbonyl]amino]-2-methyl-pyrazole-3-carboxamide Formula: C18H22BrN7O2 MolecularWeight: 448.31698

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=C(C=N1)NC(=O)C23CC4CC(C2)CC(C4)(C3)N5C=NC(=N5)Br)C(=O)N

Isomeric SMILES

CN1C(=C(C=N1)NC(=O)C23C[C@H]4C[C@@H](C2)CC(C4)(C3)N5C=NC(=N5)Br)C(=O)N

InChI

InChI=1S/C18H22BrN7O2/c1-25-13(14(20)27)12(7-22-25)23-15(28)17-3-10-2-11(4-17)6-18(5-10,8-17)26-9-21-16(19)24-26/h7,9-11H,2-6,8H2,1H3,(H2,20,27)(H,23,28)/t10-,11+,17?,18?