3-tert-butyl-5-chloranyl-1-(phenylmethyl)pyrazole-4-carbaldehyde

Systemtic Name: 3-tert-butyl-5-chloranyl-1-(phenylmethyl)pyrazole-4-carbaldehyde Openeye Name: 1-benzyl-3-tert-butyl-5-chloro-pyrazole-4-carbaldehyde CAS Name: 3-tert-butyl-5-chloro-1-(phenylmethyl)-4-pyrazolecarboxaldehyde IUPAC Name: 1-benzyl-3-tert-butyl-5-chloropyrazole-4-carbaldehyde Traditional Name: 1-benzyl-3-tert-butyl-5-chloro-pyrazole-4-carbaldehyde Formula: C15H17ClN2O MolecularWeight: 276.76128

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NN(C(=C1C=O)Cl)CC2=CC=CC=C2

Isomeric SMILES

CC(C)(C)C1=NN(C(=C1C=O)Cl)CC2=CC=CC=C2

InChI

InChI=1S/C15H17ClN2O/c1-15(2,3)13-12(10-19)14(16)18(17-13)9-11-7-5-4-6-8-11/h4-8,10H,9H2,1-3H3