N-[[5-(2,4-dichlorophenyl)-1H-pyrazol-4-yl]methyl]adamantan-1-amine

Systemtic Name: N-[[5-(2,4-dichlorophenyl)-1H-pyrazol-4-yl]methyl]adamantan-1-amine Openeye Name: N-[[5-(2,4-dichlorophenyl)-1H-pyrazol-4-yl]methyl]adamantan-1-amine CAS Name: N-[[5-(2,4-dichlorophenyl)-1H-pyrazol-4-yl]methyl]-1-adamantanamine IUPAC Name: N-[[5-(2,4-dichlorophenyl)-1H-pyrazol-4-yl]methyl]adamantan-1-amine Traditional Name: 1-adamantyl-[[5-(2,4-dichlorophenyl)-1H-pyrazol-4-yl]methyl]amine Formula: C20H23Cl2N3 MolecularWeight: 376.32272

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)NCC4=C(NN=C4)C5=C(C=C(C=C5)Cl)Cl

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)NCC4=C(NN=C4)C5=C(C=C(C=C5)Cl)Cl

InChI

InChI=1S/C20H23Cl2N3/c21-16-1-2-17(18(22)6-16)19-15(11-24-25-19)10-23-20-7-12-3-13(8-20)5-14(4-12)9-20/h1-2,6,11-14,23H,3-5,7-10H2,(H,24,25)