N-(4-tert-butylphenyl)-4-[4-(trifluoromethyl)pyrimidin-2-yl]-1,4-diazepane-1-carboxamide

Systemtic Name: N-(4-tert-butylphenyl)-4-[4-(trifluoromethyl)pyrimidin-2-yl]-1,4-diazepane-1-carboxamide Openeye Name: N-(4-tert-butylphenyl)-4-[4-(trifluoromethyl)pyrimidin-2-yl]-1,4-diazepane-1-carboxamide CAS Name: N-(4-tert-butylphenyl)-4-[4-(trifluoromethyl)-2-pyrimidinyl]-1,4-diazepane-1-carboxamide IUPAC Name: N-(4-tert-butylphenyl)-4-[4-(trifluoromethyl)pyrimidin-2-yl]-1,4-diazepane-1-carboxamide Traditional Name: N-(4-tert-butylphenyl)-4-[4-(trifluoromethyl)pyrimidin-2-yl]-1,4-diazepane-1-carboxamide Formula: C21H26F3N5O MolecularWeight: 421.45925

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)NC(=O)N2CCCN(CC2)C3=NC=CC(=N3)C(F)(F)F

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)NC(=O)N2CCCN(CC2)C3=NC=CC(=N3)C(F)(F)F

InChI

InChI=1S/C21H26F3N5O/c1-20(2,3)15-5-7-16(8-6-15)26-19(30)29-12-4-11-28(13-14-29)18-25-10-9-17(27-18)21(22,23)24/h5-10H,4,11-14H2,1-3H3,(H,26,30)