4-tert-butyl-N-[(1,3-diphenylpyrazol-4-yl)methyl]benzamide

Systemtic Name: 4-tert-butyl-N-[(1,3-diphenylpyrazol-4-yl)methyl]benzamide Openeye Name: 4-tert-butyl-N-[(1,3-diphenylpyrazol-4-yl)methyl]benzamide CAS Name: 4-tert-butyl-N-[(1,3-diphenyl-4-pyrazolyl)methyl]benzamide IUPAC Name: 4-tert-butyl-N-[(1,3-diphenylpyrazol-4-yl)methyl]benzamide Traditional Name: 4-tert-butyl-N-[(1,3-diphenylpyrazol-4-yl)methyl]benzamide Formula: C27H27N3O MolecularWeight: 409.52278

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(=O)NCC2=CN(N=C2C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)NCC2=CN(N=C2C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C27H27N3O/c1-27(2,3)23-16-14-21(15-17-23)26(31)28-18-22-19-30(24-12-8-5-9-13-24)29-25(22)20-10-6-4-7-11-20/h4-17,19H,18H2,1-3H3,(H,28,31)