N-[1-(benzotriazol-1-ylmethyl)pyrazol-4-yl]-3-bromanyl-adamantane-1-carboxamide

Systemtic Name: N-[1-(benzotriazol-1-ylmethyl)pyrazol-4-yl]-3-bromanyl-adamantane-1-carboxamide Openeye Name: N-[1-(benzotriazol-1-ylmethyl)pyrazol-4-yl]-3-bromo-adamantane-1-carboxamide CAS Name: N-[1-(1-benzotriazolylmethyl)-4-pyrazolyl]-3-bromo-1-adamantanecarboxamide IUPAC Name: N-[1-(benzotriazol-1-ylmethyl)pyrazol-4-yl]-3-bromoadamantane-1-carboxamide Traditional Name: N-[1-(benzotriazol-1-ylmethyl)pyrazol-4-yl]-3-bromo-adamantane-1-carboxamide Formula: C21H23BrN6O MolecularWeight: 455.35092

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3(CC1CC(C2)(C3)Br)C(=O)NC4=CN(N=C4)CN5C6=CC=CC=C6N=N5

Isomeric SMILES

C1C2CC3(CC1CC(C2)(C3)Br)C(=O)NC4=CN(N=C4)CN5C6=CC=CC=C6N=N5

InChI

InChI=1S/C21H23BrN6O/c22-21-8-14-5-15(9-21)7-20(6-14,12-21)19(29)24-16-10-23-27(11-16)13-28-18-4-2-1-3-17(18)25-26-28/h1-4,10-11,14-15H,5-9,12-13H2,(H,24,29)