(4-bromophenyl)-[4-[6-ethyl-2-methyl-5-(phenylmethyl)pyrimidin-4-yl]-1,4-diazepan-1-yl]methanone

Systemtic Name: (4-bromophenyl)-[4-[6-ethyl-2-methyl-5-(phenylmethyl)pyrimidin-4-yl]-1,4-diazepan-1-yl]methanone Openeye Name: [4-(5-benzyl-6-ethyl-2-methyl-pyrimidin-4-yl)-1,4-diazepan-1-yl]-(4-bromophenyl)methanone CAS Name: (4-bromophenyl)-[4-[6-ethyl-2-methyl-5-(phenylmethyl)-4-pyrimidinyl]-1,4-diazepan-1-yl]methanone IUPAC Name: [4-(5-benzyl-6-ethyl-2-methylpyrimidin-4-yl)-1,4-diazepan-1-yl]-(4-bromophenyl)methanone Traditional Name: [4-(5-benzyl-6-ethyl-2-methyl-pyrimidin-4-yl)-1,4-diazepan-1-yl]-(4-bromophenyl)methanone Formula: C26H29BrN4O MolecularWeight: 493.43866

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H29BrN4O/c1-3-24-23(18-20-8-5-4-6-9-20)25(29-19(2)28-24)30-14-7-15-31(17-16-30)26(32)21-10-12-22(27)13-11-21/h4-6,8-13H,3,7,14-18H2,1-2H3