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

Systemtic Name: N-(4-bromophenyl)-4-[6-ethyl-2-methyl-5-[(4-methylphenyl)methyl]pyrimidin-4-yl]-1,4-diazepane-1-carboxamide Openeye Name: N-(4-bromophenyl)-4-[6-ethyl-2-methyl-5-(p-tolylmethyl)pyrimidin-4-yl]-1,4-diazepane-1-carboxamide CAS Name: N-(4-bromophenyl)-4-[6-ethyl-2-methyl-5-[(4-methylphenyl)methyl]-4-pyrimidinyl]-1,4-diazepane-1-carboxamide IUPAC Name: N-(4-bromophenyl)-4-[6-ethyl-2-methyl-5-[(4-methylphenyl)methyl]pyrimidin-4-yl]-1,4-diazepane-1-carboxamide Traditional Name: N-(4-bromophenyl)-4-[6-ethyl-2-methyl-5-(4-methylbenzyl)pyrimidin-4-yl]-1,4-diazepane-1-carboxamide Formula: C27H32BrN5O MolecularWeight: 522.47988

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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=C(C=C4)C

Isomeric SMILES

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

InChI

InChI=1S/C27H32BrN5O/c1-4-25-24(18-21-8-6-19(2)7-9-21)26(30-20(3)29-25)32-14-5-15-33(17-16-32)27(34)31-23-12-10-22(28)11-13-23/h6-13H,4-5,14-18H2,1-3H3,(H,31,34)