1-(1-adamantyl)-N-[1-[(4-bromanylphenoxy)methyl]pyrazol-4-yl]-4-nitro-pyrazole-3-carboxamide

Systemtic Name: 1-(1-adamantyl)-N-[1-[(4-bromanylphenoxy)methyl]pyrazol-4-yl]-4-nitro-pyrazole-3-carboxamide Openeye Name: 1-(1-adamantyl)-N-[1-[(4-bromophenoxy)methyl]pyrazol-4-yl]-4-nitro-pyrazole-3-carboxamide CAS Name: 1-(1-adamantyl)-N-[1-[(4-bromophenoxy)methyl]-4-pyrazolyl]-4-nitro-3-pyrazolecarboxamide IUPAC Name: 1-(1-adamantyl)-N-[1-[(4-bromophenoxy)methyl]pyrazol-4-yl]-4-nitropyrazole-3-carboxamide Traditional Name: 1-(1-adamantyl)-N-[1-[(4-bromophenoxy)methyl]pyrazol-4-yl]-4-nitro-pyrazole-3-carboxamide Formula: C24H25BrN6O4 MolecularWeight: 541.3971

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)N4C=C(C(=N4)C(=O)NC5=CN(N=C5)COC6=CC=C(C=C6)Br)[N+](=O)[O-]

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)N4C=C(C(=N4)C(=O)NC5=CN(N=C5)COC6=CC=C(C=C6)Br)[N+](=O)[O-]

InChI

InChI=1S/C24H25BrN6O4/c25-18-1-3-20(4-2-18)35-14-29-12-19(11-26-29)27-23(32)22-21(31(33)34)13-30(28-22)24-8-15-5-16(9-24)7-17(6-15)10-24/h1-4,11-13,15-17H,5-10,14H2,(H,27,32)