3-(1-adamantyl)-1-(3-bromophenyl)pyrazole-4-carbaldehyde

Systemtic Name: 3-(1-adamantyl)-1-(3-bromophenyl)pyrazole-4-carbaldehyde Openeye Name: 3-(1-adamantyl)-1-(3-bromophenyl)pyrazole-4-carbaldehyde CAS Name: 3-(1-adamantyl)-1-(3-bromophenyl)-4-pyrazolecarboxaldehyde IUPAC Name: 3-(1-adamantyl)-1-(3-bromophenyl)pyrazole-4-carbaldehyde Traditional Name: 3-(1-adamantyl)-1-(3-bromophenyl)pyrazole-4-carbaldehyde Formula: C20H21BrN2O MolecularWeight: 385.29754

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C4=NN(C=C4C=O)C5=CC(=CC=C5)Br

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C4=NN(C=C4C=O)C5=CC(=CC=C5)Br

InChI

InChI=1S/C20H21BrN2O/c21-17-2-1-3-18(7-17)23-11-16(12-24)19(22-23)20-8-13-4-14(9-20)6-15(5-13)10-20/h1-3,7,11-15H,4-6,8-10H2