N-(4-bromophenyl)-4-[6-ethyl-5-[(3-fluorophenyl)methyl]-2-methyl-pyrimidin-4-yl]-1,4-diazepane-1-carboxamide

Systemtic Name: N-(4-bromophenyl)-4-[6-ethyl-5-[(3-fluorophenyl)methyl]-2-methyl-pyrimidin-4-yl]-1,4-diazepane-1-carboxamide Openeye Name: N-(4-bromophenyl)-4-[6-ethyl-5-[(3-fluorophenyl)methyl]-2-methyl-pyrimidin-4-yl]-1,4-diazepane-1-carboxamide CAS Name: N-(4-bromophenyl)-4-[6-ethyl-5-[(3-fluorophenyl)methyl]-2-methyl-4-pyrimidinyl]-1,4-diazepane-1-carboxamide IUPAC Name: N-(4-bromophenyl)-4-[6-ethyl-5-[(3-fluorophenyl)methyl]-2-methylpyrimidin-4-yl]-1,4-diazepane-1-carboxamide Traditional Name: N-(4-bromophenyl)-4-[6-ethyl-5-(3-fluorobenzyl)-2-methyl-pyrimidin-4-yl]-1,4-diazepane-1-carboxamide Formula: C26H29BrFN5O MolecularWeight: 526.443763

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=NC(=N1)C)N2CCCN(CC2)C(=O)NC3=CC=C(C=C3)Br)CC4=CC(=CC=C4)F

Isomeric SMILES

CCC1=C(C(=NC(=N1)C)N2CCCN(CC2)C(=O)NC3=CC=C(C=C3)Br)CC4=CC(=CC=C4)F

InChI

InChI=1S/C26H29BrFN5O/c1-3-24-23(17-19-6-4-7-21(28)16-19)25(30-18(2)29-24)32-12-5-13-33(15-14-32)26(34)31-22-10-8-20(27)9-11-22/h4,6-11,16H,3,5,12-15,17H2,1-2H3,(H,31,34)