2-(1-adamantyl)-N-[1-[(3,4-dichlorophenyl)methyl]pyrazol-4-yl]ethanamide

Systemtic Name: 2-(1-adamantyl)-N-[1-[(3,4-dichlorophenyl)methyl]pyrazol-4-yl]ethanamide Openeye Name: 2-(1-adamantyl)-N-[1-[(3,4-dichlorophenyl)methyl]pyrazol-4-yl]acetamide CAS Name: 2-(1-adamantyl)-N-[1-[(3,4-dichlorophenyl)methyl]-4-pyrazolyl]acetamide IUPAC Name: 2-(1-adamantyl)-N-[1-[(3,4-dichlorophenyl)methyl]pyrazol-4-yl]acetamide Traditional Name: 2-(1-adamantyl)-N-[1-(3,4-dichlorobenzyl)pyrazol-4-yl]acetamide Formula: C22H25Cl2N3O MolecularWeight: 418.3594

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)CC(=O)NC4=CN(N=C4)CC5=CC(=C(C=C5)Cl)Cl

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)CC(=O)NC4=CN(N=C4)CC5=CC(=C(C=C5)Cl)Cl

InChI

InChI=1S/C22H25Cl2N3O/c23-19-2-1-14(6-20(19)24)12-27-13-18(11-25-27)26-21(28)10-22-7-15-3-16(8-22)5-17(4-15)9-22/h1-2,6,11,13,15-17H,3-5,7-10,12H2,(H,26,28)