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

Systemtic Name: N-(4-bromophenyl)-4-[6-ethyl-2-methyl-5-(phenylmethyl)pyrimidin-4-yl]-1,4-diazepane-1-carboxamide Openeye Name: 4-(5-benzyl-6-ethyl-2-methyl-pyrimidin-4-yl)-N-(4-bromophenyl)-1,4-diazepane-1-carboxamide CAS Name: N-(4-bromophenyl)-4-[6-ethyl-2-methyl-5-(phenylmethyl)-4-pyrimidinyl]-1,4-diazepane-1-carboxamide IUPAC Name: 4-(5-benzyl-6-ethyl-2-methylpyrimidin-4-yl)-N-(4-bromophenyl)-1,4-diazepane-1-carboxamide Traditional Name: 4-(5-benzyl-6-ethyl-2-methyl-pyrimidin-4-yl)-N-(4-bromophenyl)-1,4-diazepane-1-carboxamide Formula: C26H30BrN5O MolecularWeight: 508.4533

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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

Isomeric SMILES

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

InChI

InChI=1S/C26H30BrN5O/c1-3-24-23(18-20-8-5-4-6-9-20)25(29-19(2)28-24)31-14-7-15-32(17-16-31)26(33)30-22-12-10-21(27)11-13-22/h4-6,8-13H,3,7,14-18H2,1-2H3,(H,30,33)